All Chemical Compounds

Thursday, December 1, 2011

All Chemical Compounds Information

Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[tert-butyl-[3-(dimethylamino)propyl]amino]methylene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[tert-butyl-[3-(dimethylamino)propyl]amino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[tert-butyl-[3-(dimethylamino)propyl]amino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[tert-butyl-[3-(dimethylamino)propyl]amino]methylidene]-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C32H48N2O8
MOLECULAR WEIGHT: 588.73212
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(CCCN(C)C)C(C)(C)C)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: methyl N-[(1S)-1-[[[(2R)-2-benzyl-2-hydroxy-3-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-3-oxo-propyl]-[(4-bromophenyl)methyl]amino]carbamoyl]-2,2-dimethyl-propyl]carbamate
CAS Name: N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[(2R)-2-hydroxy-3-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-oxo-2-(phenylmethyl)propyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid methyl ester
IUPAC NAME: methyl N-[(2S)-1-[2-[(2R)-2-benzyl-2-hydroxy-3-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-oxopropyl]-2-[(4-bromophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[(2R)-2-oxidanyl-3-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-3-oxidanylidene-2-(phenylmethyl)propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C34H41BrN4O6
MOLECULAR WEIGHT: 681.61654
SMILES: CC(C)(C)[C@@H](C(=O)NN(CC1=CC=C(C=C1)Br)C[C@](CC2=CC=CC=C2)(C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)NC(=O)OC
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Product OPENEYE NAME: 5-cyclopentadecylidenepentyl [(1S,2S)-2-(trimethylammonio)cyclohexyl] phosphate
CAS Name: 5-cyclopentadecylidenepentyl [(1S,2S)-2-(trimethylammonio)cyclohexyl] phosphate
IUPAC NAME: 5-cyclopentadecylidenepentyl [(1S,2S)-2-(trimethylazaniumyl)cyclohexyl] phosphate
SYSTEMATIC NAME: 5-cyclopentadecylidenepentyl [(1S,2S)-2-(trimethylazaniumyl)cyclohexyl] phosphate
MOLECULAR FORMULA: C29H56NO4P
MOLECULAR WEIGHT: 513.733001
SMILES: C[N+](C)(C)[C@H]1CCCC[C@@H]1OP(=O)([O-])OCCCCC=C2CCCCCCCCCCCCCC2
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Product OPENEYE NAME: [(1S,2S)-2-[5-cyclopentadecylidenepentoxy(hydroxy)phosphoryl]oxycyclohexyl]-trimethyl-ammonium
CAS Name: [(1S,2S)-2-[5-cyclopentadecylidenepentoxy(hydroxy)phosphoryl]oxycyclohexyl]-trimethylammonium
IUPAC NAME: [(1S,2S)-2-[5-cyclopentadecylidenepentoxy(hydroxy)phosphoryl]oxycyclohexyl]-trimethylazanium
SYSTEMATIC NAME: [(1S,2S)-2-[5-cyclopentadecylidenepentoxy(oxidanyl)phosphoryl]oxycyclohexyl]-trimethyl-azanium
MOLECULAR FORMULA: C29H57NO4P+
MOLECULAR WEIGHT: 514.740941
SMILES: C[N+](C)(C)[C@H]1CCCC[C@@H]1OP(=O)(O)OCCCCC=C2CCCCCCCCCCCCCC2
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-6-[[4-(1-piperidyl)-1-piperidyl]methylene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-6-[[4-(1-piperidinyl)-1-piperidinyl]methylidene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-6-[(4-piperidin-1-ylpiperidin-1-yl)methylidene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-6-[(4-piperidin-1-ylpiperidin-1-yl)methylidene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C33H46N2O8
MOLECULAR WEIGHT: 598.72694
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N5CCC(CC5)N6CCCCC6)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: acetic acid; (2S)-2-amino-5-[[amino(hydrazino)methylene]amino]pentanoic acid
CAS Name: acetic acid; (2S)-2-amino-5-[[amino(hydrazinyl)methylidene]amino]pentanoic acid
IUPAC NAME: acetic acid; (2S)-2-amino-5-[[amino(hydrazinyl)methylidene]amino]pentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[[azanyl(diazanyl)methylidene]amino]pentanoic acid; ethanoic acid
MOLECULAR FORMULA: C8H19N5O4
MOLECULAR WEIGHT: 249.26756
SMILES: CC(=O)O.C(C[C@@H](C(=O)O)N)CN=C(N)NN
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Product OPENEYE NAME: 1-[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetoxy-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-6-ylidene]methyl]piperidine-4-carboxylic acid
CAS Name: 1-[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetyloxy-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-6-ylidene]methyl]-4-piperidinecarboxylic acid
IUPAC NAME: 1-[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetyloxy-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-6-ylidene]methyl]piperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetyloxy-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-6-ylidene]methyl]piperidine-4-carboxylic acid
MOLECULAR FORMULA: C29H37NO10
MOLECULAR WEIGHT: 559.60478
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N5CCC(CC5)C(=O)O)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: 4-ethynylbenzenesulfonamide
CAS Name: 4-ethynylbenzenesulfonamide
IUPAC NAME: 4-ethynylbenzenesulfonamide
SYSTEMATIC NAME: 4-ethynylbenzenesulfonamide
MOLECULAR FORMULA: C8H7NO2S
MOLECULAR WEIGHT: 181.21168
SMILES: C#CC1=CC=C(C=C1)S(=O)(=O)N
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Product OPENEYE NAME: [(3aS,5S,5aS,8aR,9S,9aS)-8-acetoxy-9-hydroxy-5,8a-dimethyl-1-methylene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate
CAS Name: acetic acid [(3aS,5S,5aS,8aR,9S,9aS)-8-acetyloxy-9-hydroxy-5,8a-dimethyl-1-methylene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] ester
IUPAC NAME: [(3aS,5S,5aS,8aR,9S,9aS)-8-acetyloxy-9-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate
SYSTEMATIC NAME: [(3aS,5S,5aS,8aR,9S,9aS)-8-acetyloxy-5,8a-dimethyl-1-methylidene-9-oxidanyl-2-oxidanylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] ethanoate
MOLECULAR FORMULA: C19H26O7
MOLECULAR WEIGHT: 366.40554
SMILES: C[C@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1C(CC3OC(=O)C)OC(=O)C)C)O)C(=C)C(=O)O2
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Product OPENEYE NAME: (3aS,5R,5aS,8aR,9R,9aS)-9-hydroxy-5,8a-dimethyl-1-methylene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione
CAS Name: (3aS,5R,5aS,8aR,9R,9aS)-9-hydroxy-5,8a-dimethyl-1-methylene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione
IUPAC NAME: (3aS,5R,5aS,8aR,9R,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione
SYSTEMATIC NAME: (3aS,5R,5aS,8aR,9R,9aS)-5,8a-dimethyl-1-methylidene-9-oxidanyl-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: C[C@@H]1C[C@H]2[C@H]([C@H]([C@]3([C@H]1CCC3=O)C)O)C(=C)C(=O)O2
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Product OPENEYE NAME: (3aS,5R,5aS,7R,8R,8aR,9R,9aS)-7,8,9-trihydroxy-5,8a-dimethyl-1-methylene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
CAS Name: (3aS,5R,5aS,7R,8R,8aR,9R,9aS)-7,8,9-trihydroxy-5,8a-dimethyl-1-methylene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
IUPAC NAME: (3aS,5R,5aS,7R,8R,8aR,9R,9aS)-7,8,9-trihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
SYSTEMATIC NAME: (3aS,5R,5aS,7R,8R,8aR,9R,9aS)-5,8a-dimethyl-1-methylidene-7,8,9-tris(oxidanyl)-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
MOLECULAR FORMULA: C15H22O5
MOLECULAR WEIGHT: 282.33218
SMILES: C[C@@H]1C[C@H]2[C@H]([C@H]([C@]3([C@H]1C[C@H]([C@@H]3O)O)C)O)C(=C)C(=O)O2
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Product OPENEYE NAME: [(3aR,4R,6E,9S,10E,11aS)-9-acetoxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 3-acetoxy-2-hydroxy-2-methyl-butanoate
CAS Name: 3-acetyloxy-2-hydroxy-2-methylbutanoic acid [(3aR,4R,6E,9S,10E,11aS)-9-acetyloxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
IUPAC NAME: [(3aR,4R,6E,9S,10E,11aS)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 3-acetyloxy-2-hydroxy-2-methylbutanoate
SYSTEMATIC NAME: [(3aR,4R,6E,9S,10E,11aS)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxidanylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 3-acetyloxy-2-methyl-2-oxidanyl-butanoate
MOLECULAR FORMULA: C24H32O9
MOLECULAR WEIGHT: 464.50548
SMILES: C/C/1=C\C[C@@H](/C(=C/[C@H]2[C@@H]([C@@H](C1)OC(=O)C(C)(C(C)OC(=O)C)O)C(=C)C(=O)O2)/C)OC(=O)C
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Product OPENEYE NAME: [(3aR,4R,6E,9S,10E,11aS)-9-acetoxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2,3-dimethyloxirane-2-carboxylate
CAS Name: 2,3-dimethyl-2-oxiranecarboxylic acid [(3aR,4R,6E,9S,10E,11aS)-9-acetyloxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
IUPAC NAME: [(3aR,4R,6E,9S,10E,11aS)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2,3-dimethyloxirane-2-carboxylate
SYSTEMATIC NAME: [(3aR,4R,6E,9S,10E,11aS)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxidanylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2,3-dimethyloxirane-2-carboxylate
MOLECULAR FORMULA: C22H28O7
MOLECULAR WEIGHT: 404.45352
SMILES: CC1C(O1)(C)C(=O)O[C@@H]2C/C(=C/C[C@@H](/C(=C/[C@H]3[C@@H]2C(=C)C(=O)O3)/C)OC(=O)C)/C
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Product OPENEYE NAME: methyl N-[(1S)-1-[[[(2R)-2-benzyl-2-hydroxy-3-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-3-oxo-propyl]-[[4-(3-pyridyl)phenyl]methyl]amino]carbamoyl]-2,2-dimethyl-propyl]carbamate
CAS Name: N-[(2S)-1-[2-[(2R)-2-hydroxy-3-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-oxo-2-(phenylmethyl)propyl]-2-[[4-(3-pyridinyl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid methyl ester
IUPAC NAME: methyl N-[(2S)-1-[2-[(2R)-2-benzyl-2-hydroxy-3-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-oxopropyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: methyl N-[(2S)-3,3-dimethyl-1-oxidanylidene-1-[2-[(2R)-2-oxidanyl-3-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-3-oxidanylidene-2-(phenylmethyl)propyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate
MOLECULAR FORMULA: C39H45N5O6
MOLECULAR WEIGHT: 679.8045
SMILES: CC(C)(C)[C@@H](C(=O)NN(CC1=CC=C(C=C1)C2=CN=CC=C2)C[C@](CC3=CC=CC=C3)(C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O)NC(=O)OC
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Product OPENEYE NAME: 5-cyclopentadecylidenepentyl [(1S,2S)-2-(trimethylammonio)cyclopentyl] phosphate
CAS Name: 5-cyclopentadecylidenepentyl [(1S,2S)-2-(trimethylammonio)cyclopentyl] phosphate
IUPAC NAME: 5-cyclopentadecylidenepentyl [(1S,2S)-2-(trimethylazaniumyl)cyclopentyl] phosphate
SYSTEMATIC NAME: 5-cyclopentadecylidenepentyl [(1S,2S)-2-(trimethylazaniumyl)cyclopentyl] phosphate
MOLECULAR FORMULA: C28H54NO4P
MOLECULAR WEIGHT: 499.706421
SMILES: C[N+](C)(C)[C@H]1CCC[C@@H]1OP(=O)([O-])OCCCCC=C2CCCCCCCCCCCCCC2
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Product OPENEYE NAME: [(1S,2S)-2-[5-cyclopentadecylidenepentoxy(hydroxy)phosphoryl]oxycyclopentyl]-trimethyl-ammonium
CAS Name: [(1S,2S)-2-[5-cyclopentadecylidenepentoxy(hydroxy)phosphoryl]oxycyclopentyl]-trimethylammonium
IUPAC NAME: [(1S,2S)-2-[5-cyclopentadecylidenepentoxy(hydroxy)phosphoryl]oxycyclopentyl]-trimethylazanium
SYSTEMATIC NAME: [(1S,2S)-2-[5-cyclopentadecylidenepentoxy(oxidanyl)phosphoryl]oxycyclopentyl]-trimethyl-azanium
MOLECULAR FORMULA: C28H55NO4P+
MOLECULAR WEIGHT: 500.714361
SMILES: C[N+](C)(C)[C@H]1CCC[C@@H]1OP(=O)(O)OCCCCC=C2CCCCCCCCCCCCCC2
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-6-[(4-phenyl-1-piperidyl)methylene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-6-[(4-phenyl-1-piperidinyl)methylidene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-6-[(4-phenylpiperidin-1-yl)methylidene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-6-[(4-phenylpiperidin-1-yl)methylidene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C34H41NO8
MOLECULAR WEIGHT: 591.69124
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N5CCC(CC5)C6=CC=CC=C6)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: methyl 1-[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetoxy-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-6-ylidene]methyl]piperidine-4-carboxylate
CAS Name: 1-[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetyloxy-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-6-ylidene]methyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetyloxy-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-6-ylidene]methyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetyloxy-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-6-ylidene]methyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C30H39NO10
MOLECULAR WEIGHT: 573.63136
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N5CCC(CC5)C(=O)OC)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: [(1R,2S)-2-aminocyclohexyl]carbamoylphosphonic acid
CAS Name: [[[(1R,2S)-2-aminocyclohexyl]amino]-oxomethyl]phosphonic acid
IUPAC NAME: [(1R,2S)-2-aminocyclohexyl]carbamoylphosphonic acid
SYSTEMATIC NAME: [(1R,2S)-2-azanylcyclohexyl]carbamoylphosphonic acid
MOLECULAR FORMULA: C7H15N2O4P
MOLECULAR WEIGHT: 222.178761
SMILES: C1CC[C@H]([C@H](C1)N)NC(=O)P(=O)(O)O
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[4-[3-(dimethylamino)propyl]piperazin-1-yl]methylene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[4-[3-(dimethylamino)propyl]-1-piperazinyl]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[4-[3-(dimethylamino)propyl]piperazin-1-yl]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[4-[3-(dimethylamino)propyl]piperazin-1-yl]methylidene]-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C32H47N3O8
MOLECULAR WEIGHT: 601.73088
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N5CCN(CC5)CCCN(C)C)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[[4-(2-morpholinoethyl)piperazin-1-yl]methylene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[[4-[2-(4-morpholinyl)ethyl]-1-piperazinyl]methylidene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methylidene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-6-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methylidene]-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C33H47N3O9
MOLECULAR WEIGHT: 629.74098
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N5CCN(CC5)CCN6CCOCC6)/C4=C(C3=O)O)COC)C)C
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All Chemical Compounds Information

Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H26O10
MOLECULAR WEIGHT: 450.43584
SMILES: CC(=C)C(=O)O[C@@H]1C[C@H](C(=O)CC[C@]2([C@@H](O2)[C@H]3C1=C(C(=O)O3)COC(=O)C)C)OC(=O)C
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Product OPENEYE NAME: (2S)-2-[[(2S)-2-[[(3R)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenyl-propanoyl]amino]-6-[(4-fluorobenzoyl)amino]hexanoic acid
CAS Name: (2S)-2-[[(2S)-2-[[[(3R)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-6-[[(4-fluorophenyl)-oxomethyl]amino]hexanoic acid
IUPAC NAME: (2S)-2-[[(2S)-2-[[(3R)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenylpropanoyl]amino]-6-[(4-fluorobenzoyl)amino]hexanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(3R)-2-[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-3-phenyl-propanoyl]amino]-6-[(4-fluorophenyl)carbonylamino]hexanoic acid
MOLECULAR FORMULA: C43H48FN5O7
MOLECULAR WEIGHT: 765.868923
SMILES: CC1=CC(=CC(=C1C[C@@H](C(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCCCNC(=O)C5=CC=C(C=C5)F)C(=O)O)N)C)O
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Product OPENEYE NAME: (2S)-6-[[(3R)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-2-[(4-fluorobenzoyl)amino]hexanoic acid
CAS Name: (2S)-6-[[[(3R)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]-2-[[(4-fluorophenyl)-oxomethyl]amino]hexanoic acid
IUPAC NAME: (2S)-6-[[(3R)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-2-[(4-fluorobenzoyl)amino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-[[(3R)-2-[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-2-[(4-fluorophenyl)carbonylamino]hexanoic acid
MOLECULAR FORMULA: C34H39FN4O6
MOLECULAR WEIGHT: 618.695063
SMILES: CC1=CC(=CC(=C1C[C@@H](C(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)NCCCC[C@@H](C(=O)O)NC(=O)C4=CC=C(C=C4)F)N)C)O
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Product OPENEYE NAME: 11-(2-adamantylidene)undecyl 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)ethyl phosphate
CAS Name: 11-(2-adamantylidene)undecyl 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)ethyl phosphate
IUPAC NAME: 11-(2-adamantylidene)undecyl 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)ethyl phosphate
SYSTEMATIC NAME: 11-(2-adamantylidene)undecyl 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)ethyl phosphate
MOLECULAR FORMULA: C32H54NO4P
MOLECULAR WEIGHT: 547.749221
SMILES: C[N+]1(C2CCC1CC(=CCOP(=O)([O-])OCCCCCCCCCCC=C3C4CC5CC(C4)CC3C5)C2)C
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Product OPENEYE NAME: 11-(2-adamantylidene)undecyl 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)ethyl hydrogen phosphate
CAS Name: 11-(2-adamantylidene)undecyl 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)ethyl hydrogen phosphate
IUPAC NAME: 11-(2-adamantylidene)undecyl 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)ethyl hydrogen phosphate
SYSTEMATIC NAME: 11-(2-adamantylidene)undecyl 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)ethyl hydrogen phosphate
MOLECULAR FORMULA: C32H55NO4P+
MOLECULAR WEIGHT: 548.757161
SMILES: C[N+]1(C2CCC1CC(=CCOP(=O)(O)OCCCCCCCCCCC=C3C4CC5CC(C4)CC3C5)C2)C
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Product OPENEYE NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-benzoyl-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
CAS Name: (2S,4aR,6aR,7R,9S,10aS,10bR)-9-benzoyl-2-(3-furanyl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f][2]benzopyran-7-carboxylic acid methyl ester
IUPAC NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-benzoyl-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
SYSTEMATIC NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-bis(oxidanylidene)-9-(phenylcarbonyl)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
MOLECULAR FORMULA: C28H30O7
MOLECULAR WEIGHT: 478.5336
SMILES: C[C@@]12CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]1C(=O)[C@H](C[C@H]2C(=O)OC)C(=O)C4=CC=CC=C4)C)C5=COC=C5
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H28N2O3
MOLECULAR WEIGHT: 427.523554
SMILES: [11CH3]N1C2=CC=CC=C2C3=C1[C@H]4C56CCN([C@@H]([C@@]5(C3)O)CC7=C6C(=C(C=C7)O)O4)CC8CC8
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Product OPENEYE NAME: (2S)-2-[[(2S)-2-[[(3R)-2-[(2S)-2-amino-3-(2,4-dihydroxy-6-methyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenyl-propanoyl]amino]-6-(benzyloxycarbonylamino)hexanoic acid
CAS Name: (2S)-2-[[(2S)-2-[[[(3R)-2-[(2S)-2-amino-3-(2,4-dihydroxy-6-methylphenyl)-1-oxopropyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid
IUPAC NAME: (2S)-2-[[(2S)-2-[[(3R)-2-[(2S)-2-amino-3-(2,4-dihydroxy-6-methylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenylpropanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(3R)-2-[(2S)-2-azanyl-3-[2-methyl-4,6-bis(oxidanyl)phenyl]propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-3-phenyl-propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid
MOLECULAR FORMULA: C43H49N5O9
MOLECULAR WEIGHT: 779.87726
SMILES: CC1=CC(=CC(=C1C[C@@H](C(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCCCNC(=O)OCC5=CC=CC=C5)C(=O)O)N)O)O
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-6-[(4-oxo-1-piperidyl)methylene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-6-[(4-oxo-1-piperidinyl)methylidene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-6-[(4-oxopiperidin-1-yl)methylidene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-6-[(4-oxidanylidenepiperidin-1-yl)methylidene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C28H35NO9
MOLECULAR WEIGHT: 529.5788
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N5CCC(=O)CC5)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-(morpholinomethylene)-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-(4-morpholinylmethylidene)-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-(morpholin-4-ylmethylidene)-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-6-(morpholin-4-ylmethylidene)-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C27H35NO9
MOLECULAR WEIGHT: 517.5681
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N5CCOCC5)/C4=C(C3=O)O)COC)C)C
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All Chemical Compounds Information

Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methylene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[[methyl-[3-(4-methyl-1-piperazinyl)propyl]amino]methylidene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methylidene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-6-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methylidene]-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C32H47N3O8
MOLECULAR WEIGHT: 601.73088
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(C)CCCN5CCN(CC5)C)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[[methyl(3-morpholinopropyl)amino]methylene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[[methyl-[3-(4-morpholinyl)propyl]amino]methylidene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[[methyl(3-morpholin-4-ylpropyl)amino]methylidene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-6-[[methyl(3-morpholin-4-ylpropyl)amino]methylidene]-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C31H44N2O9
MOLECULAR WEIGHT: 588.68906
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(C)CCCN5CCOCC5)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H34O4
MOLECULAR WEIGHT: 410.54576
SMILES: C[C@@]12CC[C@@H]3[C@@]4(CCC[C@@]3([C@H]1CC[C@]5([C@H]2CC6=C(O5)C=CC(=C6)O)C)COC4=O)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H36O5
MOLECULAR WEIGHT: 428.56104
SMILES: C[C@@]12CC[C@@H]3[C@@]4(CCC[C@@]3([C@H]1CC[C@]([C@H]2CC5=C(C=CC(=C5)O)O)(C)O)COC4=O)C
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2-(diethylamino)ethyl-methyl-amino]methylene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2-(diethylamino)ethyl-methylamino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2-(diethylamino)ethyl-methylamino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2-(diethylamino)ethyl-methyl-amino]methylidene]-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C30H44N2O8
MOLECULAR WEIGHT: 560.67896
SMILES: CCN(CC)CCN(C)/C=C/1\C2=C(C(=O)C3=C([C@]2([C@H](OC1=O)COC)C)[C@@H](C[C@]4([C@H]3CC[C@@H]4O)C)OC(=O)C)O
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2-(diethylamino)ethyl-ethyl-amino]methylene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2-(diethylamino)ethyl-ethylamino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2-(diethylamino)ethyl-ethylamino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2-(diethylamino)ethyl-ethyl-amino]methylidene]-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C31H46N2O8
MOLECULAR WEIGHT: 574.70554
SMILES: CCN(CC)CCN(CC)/C=C/1\C2=C(C(=O)C3=C([C@]2([C@H](OC1=O)COC)C)[C@@H](C[C@]4([C@H]3CC[C@@H]4O)C)OC(=O)C)O
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[3-(dimethylamino)propyl-ethyl-amino]methylene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[3-(dimethylamino)propyl-ethylamino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[3-(dimethylamino)propyl-ethylamino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[3-(dimethylamino)propyl-ethyl-amino]methylidene]-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C30H44N2O8
MOLECULAR WEIGHT: 560.67896
SMILES: CCN(CCCN(C)C)/C=C/1\C2=C(C(=O)C3=C([C@]2([C@H](OC1=O)COC)C)[C@@H](C[C@]4([C@H]3CC[C@@H]4O)C)OC(=O)C)O
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2-(dimethylamino)ethyl-ethyl-amino]methylene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2-(dimethylamino)ethyl-ethylamino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2-(dimethylamino)ethyl-ethylamino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2-(dimethylamino)ethyl-ethyl-amino]methylidene]-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C29H42N2O8
MOLECULAR WEIGHT: 546.65238
SMILES: CCN(CCN(C)C)/C=C/1\C2=C(C(=O)C3=C([C@]2([C@H](OC1=O)COC)C)[C@@H](C[C@]4([C@H]3CC[C@@H]4O)C)OC(=O)C)O
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Product OPENEYE NAME: methyl 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)sulfanyl-2-oxo-3,4-dihydroquinazoline-7-carboxylate
CAS Name: 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)thio]-2-oxo-3,4-dihydroquinazoline-7-carboxylic acid methyl ester
IUPAC NAME: methyl 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)sulfanyl-2-oxo-3,4-dihydroquinazoline-7-carboxylate
SYSTEMATIC NAME: methyl 1-[2,6-bis(chloranyl)phenyl]-5-[2,4-bis(fluoranyl)phenyl]sulfanyl-2-oxidanylidene-3,4-dihydroquinazoline-7-carboxylate
MOLECULAR FORMULA: C22H14Cl2F2N2O3S
MOLECULAR WEIGHT: 495.325966
SMILES: COC(=O)C1=CC2=C(CNC(=O)N2C3=C(C=CC=C3Cl)Cl)C(=C1)SC4=C(C=C(C=C4)F)F
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2-(dimethylamino)ethyl-methyl-amino]methylene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2-(dimethylamino)ethyl-methylamino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2-(dimethylamino)ethyl-methylamino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2-(dimethylamino)ethyl-methyl-amino]methylidene]-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C28H40N2O8
MOLECULAR WEIGHT: 532.6258
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(C)CCN(C)C)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: (3aS,4R,5E,9Z,11aR)-4-hydroxy-6-methyl-3-methylene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-10-carbaldehyde
CAS Name: (3aS,4R,5E,9Z,11aR)-4-hydroxy-6-methyl-3-methylene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-10-carboxaldehyde
IUPAC NAME: (3aS,4R,5E,9Z,11aR)-4-hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-10-carbaldehyde
SYSTEMATIC NAME: (3aS,4R,5E,9Z,11aR)-6-methyl-3-methylidene-4-oxidanyl-2-oxidanylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-10-carbaldehyde
MOLECULAR FORMULA: C15H18O4
MOLECULAR WEIGHT: 262.30102
SMILES: C/C/1=C\[C@H]([C@H]2[C@@H](C/C(=C/CC1)/C=O)OC(=O)C2=C)O
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Product OPENEYE NAME: 2-[4-(4-cyclohexylpiperazin-1-yl)butylsulfanyl]-1,3-benzoxazole
CAS Name: 2-[4-(4-cyclohexyl-1-piperazinyl)butylthio]-1,3-benzoxazole
IUPAC NAME: 2-[4-(4-cyclohexylpiperazin-1-yl)butylsulfanyl]-1,3-benzoxazole
SYSTEMATIC NAME: 2-[4-(4-cyclohexylpiperazin-1-yl)butylsulfanyl]-1,3-benzoxazole
MOLECULAR FORMULA: C21H31N3OS
MOLECULAR WEIGHT: 373.55534
SMILES: C1CCC(CC1)N2CCN(CC2)CCCCSC3=NC4=CC=CC=C4O3
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Product OPENEYE NAME: [(1R)-2-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl]oxy-1-methyl-ethyl] (2R)-2-amino-3-phenyl-propanoate
CAS Name: (2R)-2-amino-3-phenylpropanoic acid [(2R)-1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-pyrrolo[2,1-f][1,2,4]triazinyl]oxy]propan-2-yl] ester
IUPAC NAME: [(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] (2R)-2-amino-3-phenylpropanoate
SYSTEMATIC NAME: [(2R)-1-[4-[(4-fluoranyl-2-methyl-1H-indol-5-yl)oxy]-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] (2R)-2-azanyl-3-phenyl-propanoate
MOLECULAR FORMULA: C28H28FN5O4
MOLECULAR WEIGHT: 517.551423
SMILES: CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)OC(=O)[C@@H](CC5=CC=CC=C5)N)C
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Product OPENEYE NAME: [(1R)-2-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl]oxy-1-methyl-ethyl] (2R)-2-amino-4-methyl-pentanoate
CAS Name: (2R)-2-amino-4-methylpentanoic acid [(2R)-1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-pyrrolo[2,1-f][1,2,4]triazinyl]oxy]propan-2-yl] ester
IUPAC NAME: [(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] (2R)-2-amino-4-methylpentanoate
SYSTEMATIC NAME: [(2R)-1-[4-[(4-fluoranyl-2-methyl-1H-indol-5-yl)oxy]-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] (2R)-2-azanyl-4-methyl-pentanoate
MOLECULAR FORMULA: C25H30FN5O4
MOLECULAR WEIGHT: 483.535203
SMILES: CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)OC(=O)[C@@H](CC(C)C)N)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H22O7
MOLECULAR WEIGHT: 362.37378
SMILES: CCO[C@H]1CC/C(=C\[C@@H]2[C@@H]([C@H]3C=C1C(=O)O3)C(=C)C(=O)O2)/COC(=O)C
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-6-(1-piperidylmethylene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-6-(1-piperidinylmethylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-6-(piperidin-1-ylmethylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-6-(piperidin-1-ylmethylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C28H37NO8
MOLECULAR WEIGHT: 515.59528
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N5CCCCC5)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H20O6
MOLECULAR WEIGHT: 320.3371
SMILES: CCO[C@H]1CC/C(=C\[C@@H]2[C@@H]([C@H]3C=C1C(=O)O3)C(=C)C(=O)O2)/CO
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All Chemical Compounds Information

Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2,3-dihydroxypropyl(methyl)amino]methylene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2,3-dihydroxypropyl(methyl)amino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2,3-dihydroxypropyl(methyl)amino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2,3-bis(oxidanyl)propyl-methyl-amino]methylidene]-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C27H37NO10
MOLECULAR WEIGHT: 535.58338
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(C)CC(CO)O)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[benzyl(2-cyanoethyl)amino]methylene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2-cyanoethyl-(phenylmethyl)amino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[benzyl(2-cyanoethyl)amino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2-cyanoethyl-(phenylmethyl)amino]methylidene]-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C33H38N2O8
MOLECULAR WEIGHT: 590.66342
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(CCC#N)CC5=CC=CC=C5)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26O7
MOLECULAR WEIGHT: 378.41624
SMILES: CC1C(O1)(C)C(=O)O[C@@H]2C[C@]3([C@@H](C[C@@H]4[C@]([C@@H]3[C@@H]5[C@@H]2C(=C)C(=O)O5)(O4)C)O)C
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[bis(2-hydroxyethyl)amino]methylene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[bis(2-hydroxyethyl)amino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[bis(2-hydroxyethyl)amino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[bis(2-hydroxyethyl)amino]methylidene]-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C27H37NO10
MOLECULAR WEIGHT: 535.58338
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(CCO)CCO)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: 4-[[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetoxy-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-6-ylidene]methyl]-methyl-amino]butanoic acid
CAS Name: 4-[[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetyloxy-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-6-ylidene]methyl]-methylamino]butanoic acid
IUPAC NAME: 4-[[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetyloxy-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-6-ylidene]methyl]-methylamino]butanoic acid
SYSTEMATIC NAME: 4-[[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetyloxy-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-6-ylidene]methyl]-methyl-amino]butanoic acid
MOLECULAR FORMULA: C28H37NO10
MOLECULAR WEIGHT: 547.59408
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(C)CCCC(=O)O)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: tert-butyl 2-[[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetoxy-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-6-ylidene]methyl]-methyl-amino]acetate
CAS Name: 2-[[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetyloxy-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-6-ylidene]methyl]-methylamino]acetic acid tert-butyl ester
IUPAC NAME: tert-butyl 2-[[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetyloxy-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-6-ylidene]methyl]-methylamino]acetate
SYSTEMATIC NAME: tert-butyl 2-[[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetyloxy-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-6-ylidene]methyl]-methyl-amino]ethanoate
MOLECULAR FORMULA: C30H41NO10
MOLECULAR WEIGHT: 575.64724
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(C)CC(=O)OC(C)(C)C)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: 6-[[(4R)-4-isopropenylcyclohexen-1-yl]methoxy]-7H-purin-2-amine
CAS Name: 6-[[(4R)-4-(1-methylethenyl)-1-cyclohexenyl]methoxy]-7H-purin-2-amine
IUPAC NAME: 6-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methoxy]-7H-purin-2-amine
SYSTEMATIC NAME: 6-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methoxy]-7H-purin-2-amine
MOLECULAR FORMULA: C15H19N5O
MOLECULAR WEIGHT: 285.34426
SMILES: CC(=C)[C@@H]1CCC(=CC1)COC2=NC(=NC3=C2NC=N3)N
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Product OPENEYE NAME: [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g]benzofuran-4-yl] 3-hydroxy-2-methylene-butanoate
CAS Name: 3-hydroxy-2-methylenebutanoic acid [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g]benzofuran-4-yl] ester
IUPAC NAME: [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] 3-hydroxy-2-methylidenebutanoate
SYSTEMATIC NAME: [(3aR,4R,5aR,6R,9aS,9bR)-5a,9-dimethyl-3-methylidene-6-oxidanyl-2-oxidanylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] 2-methylidene-3-oxidanyl-butanoate
MOLECULAR FORMULA: C20H26O6
MOLECULAR WEIGHT: 362.41684
SMILES: CC1=CC[C@H]([C@]2([C@H]1[C@@H]3[C@@H]([C@@H](C2)OC(=O)C(=C)C(C)O)C(=C)C(=O)O3)C)O
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Product OPENEYE NAME: [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g]benzofuran-4-yl] 2,3-dimethyloxirane-2-carboxylate
CAS Name: 2,3-dimethyl-2-oxiranecarboxylic acid [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g]benzofuran-4-yl] ester
IUPAC NAME: [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] 2,3-dimethyloxirane-2-carboxylate
SYSTEMATIC NAME: [(3aR,4R,5aR,6R,9aS,9bR)-5a,9-dimethyl-3-methylidene-6-oxidanyl-2-oxidanylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] 2,3-dimethyloxirane-2-carboxylate
MOLECULAR FORMULA: C20H26O6
MOLECULAR WEIGHT: 362.41684
SMILES: CC1C(O1)(C)C(=O)O[C@@H]2C[C@]3([C@@H](CC=C([C@@H]3[C@@H]4[C@@H]2C(=C)C(=O)O4)C)O)C
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[[methyl-(1-methylpyrrolidin-3-yl)amino]methylene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[[methyl-(1-methyl-3-pyrrolidinyl)amino]methylidene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[[methyl-(1-methylpyrrolidin-3-yl)amino]methylidene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-6-[[methyl-(1-methylpyrrolidin-3-yl)amino]methylidene]-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C29H40N2O8
MOLECULAR WEIGHT: 544.6365
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(C)C5CCN(C5)C)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-6-[[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl-methyl-amino]methylene]-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-6-[[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl-methylamino]methylidene]-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-6-[[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl-methylamino]methylidene]-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-9-(methoxymethyl)-6-[[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl-methyl-amino]methylidene]-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C38H51N3O9
MOLECULAR WEIGHT: 693.82624
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(C)CCCN5CCN(CC5)C6=CC=C(C=C6)OC)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: (2-iodo-5-nitro-phenyl)-[2-methyl-1-[(1-methyl-2-piperidyl)methyl]indol-3-yl]methanone
CAS Name: (2-iodo-5-nitrophenyl)-[2-methyl-1-[(1-methyl-2-piperidinyl)methyl]-3-indolyl]methanone
IUPAC NAME: (2-iodo-5-nitrophenyl)-[2-methyl-1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
SYSTEMATIC NAME: (2-iodanyl-5-nitro-phenyl)-[2-methyl-1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
MOLECULAR FORMULA: C23H24IN3O3
MOLECULAR WEIGHT: 517.35943
SMILES: CC1=C(C2=CC=CC=C2N1CC3CCCCN3C)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])I
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Product OPENEYE NAME: [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g]benzofuran-4-yl] 2,3-dihydroxy-2-methyl-butanoate
CAS Name: 2,3-dihydroxy-2-methylbutanoic acid [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g]benzofuran-4-yl] ester
IUPAC NAME: [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] 2,3-dihydroxy-2-methylbutanoate
SYSTEMATIC NAME: [(3aR,4R,5aR,6R,9aS,9bR)-5a-methyl-3,9-dimethylidene-6-oxidanyl-2-oxidanylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] 2-methyl-2,3-bis(oxidanyl)butanoate
MOLECULAR FORMULA: C20H28O7
MOLECULAR WEIGHT: 380.43212
SMILES: CC(C(C)(C(=O)O[C@@H]1C[C@]2([C@@H](CCC(=C)[C@@H]2[C@@H]3[C@@H]1C(=C)C(=O)O3)O)C)O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H36O4
MOLECULAR WEIGHT: 412.56164
SMILES: C[C@]12CCC[C@]([C@H]1CC[C@@]3([C@@H]2CC[C@]4([C@H]3CC5=C(O4)C=CC(=C5)O)C)C)(C)C(=O)O
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[bis[3-(dimethylamino)propyl]amino]methylene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[bis[3-(dimethylamino)propyl]amino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[bis[3-(dimethylamino)propyl]amino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[bis[3-(dimethylamino)propyl]amino]methylidene]-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C33H51N3O8
MOLECULAR WEIGHT: 617.77334
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(CCCN(C)C)CCCN(C)C)/C4=C(C3=O)O)COC)C)C
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All Chemical Compounds Information

Product OPENEYE NAME: tert-butyl (NE)-N-[[4-[4-[[(E)-N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]amino]anilino]anilino]-(tert-butoxycarbonylamino)methylene]carbamate
CAS Name: (NE)-N-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-[4-[4-[[(E)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]amino]anilino]anilino]methylidene]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl (NE)-N-[[4-[4-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]anilino]anilino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
SYSTEMATIC NAME: tert-butyl (NE)-N-[[[4-[[4-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]phenyl]amino]phenyl]amino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
MOLECULAR FORMULA: C34H49N7O8
MOLECULAR WEIGHT: 683.79496
SMILES: CC(OC(=O)N/C(=N/C(=O)OC(C)(C)C)/NC1=CC=C(C=C1)NC2=CC=C(C=C2)N/C(=N\C(=O)OC(C)(C)C)/NC(=O)OC(C)(C)C)(C)C
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Product OPENEYE NAME: 4-methoxy-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 4-methoxy-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 4-methoxy-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 4-methoxy-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C14H13N5O
MOLECULAR WEIGHT: 267.28592
SMILES: COC1=CC(=C(C=C1)NC2=NC=NC3=C2C=NC=C3)N
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Product OPENEYE NAME: 3-methoxy-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-methoxy-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-methoxy-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-methoxy-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C14H13N5O
MOLECULAR WEIGHT: 267.28592
SMILES: COC1=CC=CC(=C1N)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 2,4-dichloro-N-(3-cyano-5-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-morpholinosulfonyl-benzamide
CAS Name: 2,4-dichloro-N-(3-cyano-5-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-morpholinylsulfonyl)benzamide
IUPAC NAME: 2,4-dichloro-N-(3-cyano-5-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-morpholin-4-ylsulfonylbenzamide
SYSTEMATIC NAME: 2,4-bis(chloranyl)-N-(3-cyano-5-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-morpholin-4-ylsulfonyl-benzamide
MOLECULAR FORMULA: C26H23Cl2N3O4S2
MOLECULAR WEIGHT: 576.51452
SMILES: C1CC2=C(CC1C3=CC=CC=C3)C(=C(S2)NC(=O)C4=CC(=C(C=C4Cl)Cl)S(=O)(=O)N5CCOCC5)C#N
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Product OPENEYE NAME: 2-chloro-N-[3-cyano-5-(4-hydroxyphenyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide
CAS Name: 2-chloro-N-[3-cyano-5-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide
IUPAC NAME: 2-chloro-N-[3-cyano-5-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide
SYSTEMATIC NAME: 2-chloranyl-N-[3-cyano-5-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide
MOLECULAR FORMULA: C26H26ClN3O4S2
MOLECULAR WEIGHT: 544.08534
SMILES: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=C(C3=C(S2)CCC(C3)C4=CC=C(C=C4)O)C#N
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Product OPENEYE NAME: 3-[3-(trifluoromethyl)anilino]phthalic acid
CAS Name: 3-[3-(trifluoromethyl)anilino]phthalic acid
IUPAC NAME: 3-[3-(trifluoromethyl)anilino]phthalic acid
SYSTEMATIC NAME: 3-[[3-(trifluoromethyl)phenyl]amino]phthalic acid
MOLECULAR FORMULA: C15H10F3NO4
MOLECULAR WEIGHT: 325.23941
SMILES: C1=CC(=CC(=C1)NC2=CC=CC(=C2C(=O)O)C(=O)O)C(F)(F)F
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-fluorophenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-[bis[(4-fluorophenyl)methyl]amino]propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-fluorophenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-fluorophenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C56H82F2N4O3
MOLECULAR WEIGHT: 897.272086
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NCCCN6CCN(CC6)CCCN(CC7=CC=C(C=C7)F)CC8=CC=C(C=C8)F
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Product OPENEYE NAME: methyl (2S)-6-(benzyloxycarbonylamino)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]hexanoate
CAS Name: (2S)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid methyl ester
IUPAC NAME: methyl (2S)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]-6-(phenylmethoxycarbonylamino)hexanoate
SYSTEMATIC NAME: methyl (2S)-2-[[5-methyl-1,1,3-tris(oxidanylidene)-4-propyl-1,2,5-thiadiazolidin-2-yl]methylsulfonylamino]-6-(phenylmethoxycarbonylamino)hexanoate
MOLECULAR FORMULA: C22H34N4O9S2
MOLECULAR WEIGHT: 562.65676
SMILES: CCCC1C(=O)N(S(=O)(=O)N1C)CS(=O)(=O)N[C@@H](CCCCNC(=O)OCC2=CC=CC=C2)C(=O)OC
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Product OPENEYE NAME: (5R,7S)-1-benzyl-5-dodecanoyl-8-ethoxycarbonyl-5-hydroxy-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
CAS Name: (5R,7S)-8-ethoxycarbonyl-5-hydroxy-5-(1-oxododecyl)-1-(phenylmethyl)-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
IUPAC NAME: (5R,7S)-1-benzyl-5-dodecanoyl-8-ethoxycarbonyl-5-hydroxy-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
SYSTEMATIC NAME: (5R,7S)-5-dodecanoyl-8-ethoxycarbonyl-5-oxidanyl-1-(phenylmethyl)-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
MOLECULAR FORMULA: C30H44N2O6
MOLECULAR WEIGHT: 528.68016
SMILES: CCCCCCCCCCCC(=O)[C@@]1(C[C@@H](C(=C2N1CCN2CC3=CC=CC=C3)C(=O)OCC)C(=O)O)O
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Product OPENEYE NAME: (4-amino-2-pyridyl)-[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
CAS Name: (4-amino-2-pyridinyl)-[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
IUPAC NAME: (4-aminopyridin-2-yl)-[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
SYSTEMATIC NAME: (4-azanylpyridin-2-yl)-[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
MOLECULAR FORMULA: C29H34N4O3
MOLECULAR WEIGHT: 486.60526
SMILES: COC1=CC=CC=C1OC2=CC=CC=C2CN3CCC4(CC3)CCN(CC4)C(=O)C5=NC=CC(=C5)N
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[(4-methylpiperazin-1-yl)methylene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[(4-methyl-1-piperazinyl)methylidene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[(4-methylpiperazin-1-yl)methylidene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-6-[(4-methylpiperazin-1-yl)methylidene]-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C28H38N2O8
MOLECULAR WEIGHT: 530.60992
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N5CCN(CC5)C)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-6-[(4-phenylpiperazin-1-yl)methylene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-6-[(4-phenyl-1-piperazinyl)methylidene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-6-[(4-phenylpiperazin-1-yl)methylidene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-6-[(4-phenylpiperazin-1-yl)methylidene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C33H40N2O8
MOLECULAR WEIGHT: 592.6793
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N5CCN(CC5)C6=CC=CC=C6)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: 5-(2-chloro-4-fluoro-phenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-ethylcyclopropyl)-4-piperidyl]-3,4-dihydroquinazolin-2-one
CAS Name: 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-ethylcyclopropyl)-4-piperidinyl]-3,4-dihydroquinazolin-2-one
IUPAC NAME: 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-ethylcyclopropyl)piperidin-4-yl]-3,4-dihydroquinazolin-2-one
SYSTEMATIC NAME: 1-[2,6-bis(chloranyl)phenyl]-5-(2-chloranyl-4-fluoranyl-phenyl)-7-[1-(1-ethylcyclopropyl)piperidin-4-yl]-3,4-dihydroquinazolin-2-one
MOLECULAR FORMULA: C30H29Cl3FN3O
MOLECULAR WEIGHT: 572.928163
SMILES: CCC1(CC1)N2CCC(CC2)C3=CC4=C(CNC(=O)N4C5=C(C=CC=C5Cl)Cl)C(=C3)C6=C(C=C(C=C6)F)Cl
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Product OPENEYE NAME: 5-(2-chloro-4-fluoro-phenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylcyclopropyl)-4-piperidyl]-3,4-dihydroquinazolin-2-one
CAS Name: 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylcyclopropyl)-4-piperidinyl]-3,4-dihydroquinazolin-2-one
IUPAC NAME: 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylcyclopropyl)piperidin-4-yl]-3,4-dihydroquinazolin-2-one
SYSTEMATIC NAME: 1-[2,6-bis(chloranyl)phenyl]-5-(2-chloranyl-4-fluoranyl-phenyl)-7-[1-(1-methylcyclopropyl)piperidin-4-yl]-3,4-dihydroquinazolin-2-one
MOLECULAR FORMULA: C29H27Cl3FN3O
MOLECULAR WEIGHT: 558.901583
SMILES: CC1(CC1)N2CCC(CC2)C3=CC4=C(CNC(=O)N4C5=C(C=CC=C5Cl)Cl)C(=C3)C6=C(C=C(C=C6)F)Cl
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Product OPENEYE NAME: (3S,3aS,5S,6aR,9S,9aR,9bS)-5-hydroxy-3,9-dimethyl-6-methylene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione
CAS Name: (3S,3aS,5S,6aR,9S,9aR,9bS)-5-hydroxy-3,9-dimethyl-6-methylene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione
IUPAC NAME: (3S,3aS,5S,6aR,9S,9aR,9bS)-5-hydroxy-3,9-dimethyl-6-methylidene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione
SYSTEMATIC NAME: (3S,3aS,5S,6aR,9S,9aR,9bS)-3,9-dimethyl-6-methylidene-5-oxidanyl-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: C[C@H]1[C@@H]2C[C@@H](C(=C)[C@@H]3CC(=O)[C@H]([C@@H]3[C@H]2OC1=O)C)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H22O3
MOLECULAR WEIGHT: 250.33338
SMILES: C[C@H]1CCC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C
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Product OPENEYE NAME: N-(o-tolyl)imidazo[1,5-a]quinoxaline-4-carboxamide
CAS Name: N-(2-methylphenyl)-4-imidazo[1,5-a]quinoxalinecarboxamide
IUPAC NAME: N-(2-methylphenyl)imidazo[1,5-a]quinoxaline-4-carboxamide
SYSTEMATIC NAME: N-(2-methylphenyl)imidazo[1,5-a]quinoxaline-4-carboxamide
MOLECULAR FORMULA: C18H14N4O
MOLECULAR WEIGHT: 302.32996
SMILES: CC1=CC=CC=C1NC(=O)C2=NC3=CC=CC=C3N4C2=CN=C4
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Product OPENEYE NAME: N-(2-bromophenyl)imidazo[1,5-a]quinoxaline-4-carboxamide
CAS Name: N-(2-bromophenyl)-4-imidazo[1,5-a]quinoxalinecarboxamide
IUPAC NAME: N-(2-bromophenyl)imidazo[1,5-a]quinoxaline-4-carboxamide
SYSTEMATIC NAME: N-(2-bromophenyl)imidazo[1,5-a]quinoxaline-4-carboxamide
MOLECULAR FORMULA: C17H11BrN4O
MOLECULAR WEIGHT: 367.19944
SMILES: C1=CC=C2C(=C1)N=C(C3=CN=CN23)C(=O)NC4=CC=CC=C4Br
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[[4-(1-methyl-4-piperidyl)piperazin-1-yl]methylene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[[4-(1-methyl-4-piperidinyl)-1-piperazinyl]methylidene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methylidene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-6-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methylidene]-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C33H47N3O8
MOLECULAR WEIGHT: 613.74158
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N5CCN(CC5)C6CCN(CC6)C)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[(4-cyclohexylpiperazin-1-yl)methylene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[(4-cyclohexyl-1-piperazinyl)methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[(4-cyclohexylpiperazin-1-yl)methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[(4-cyclohexylpiperazin-1-yl)methylidene]-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C33H46N2O8
MOLECULAR WEIGHT: 598.72694
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N5CCN(CC5)C6CCCCC6)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[(4-benzylpiperazin-1-yl)methylene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-6-[[4-(phenylmethyl)-1-piperazinyl]methylidene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[(4-benzylpiperazin-1-yl)methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-6-[[4-(phenylmethyl)piperazin-1-yl]methylidene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C34H42N2O8
MOLECULAR WEIGHT: 606.70588
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N5CCN(CC5)CC6=CC=CC=C6)/C4=C(C3=O)O)COC)C)C
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All Chemical Compounds Information

Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H38N6O6
MOLECULAR WEIGHT: 674.74492
SMILES: CC(=O)NCCCNCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCNCCCNC(=O)C)C1=O
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Product OPENEYE NAME: 6-(2,6-dichlorophenyl)-8-methyl-2-(3-piperazin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
CAS Name: 6-(2,6-dichlorophenyl)-8-methyl-2-[3-(1-piperazinyl)propylamino]-7-pyrido[2,3-d]pyrimidinone
IUPAC NAME: 6-(2,6-dichlorophenyl)-8-methyl-2-(3-piperazin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
SYSTEMATIC NAME: 6-[2,6-bis(chloranyl)phenyl]-8-methyl-2-(3-piperazin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
MOLECULAR FORMULA: C21H24Cl2N6O
MOLECULAR WEIGHT: 447.36086
SMILES: CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)NCCCN4CCNCC4
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Product OPENEYE NAME: O1-[2-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-prop-2-enoyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[4-[(2S,3R)-2-(2-chlorophenyl)-4-oxo-1-sec-butylsulfanyl-azetidin-3-yl]oxy-4-oxo-butanoyl]oxy-ethyl] O4-[(2S,3R)-2-(2-chlorophenyl)-4-oxo-1-sec-butyls
CAS Name: butanedioic acid O1-[2-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-(1-oxoprop-2-enoxy)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[4-[[(2S,3R)-1-(butan-2-ylthio)-2-(2-chlorophenyl)-4-oxo-3-azetidinyl]oxy]-1,4-dioxobutoxy]ethyl] ester O4-[(2S,3R)-1-(butan-2-yl
IUPAC NAME: 1-O-[2-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-prop-2-enoyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[4-[(2S,3R)-1-butan-2-ylsulfanyl-2-(2-chlorophenyl)-4-oxoazetidin-3-yl]oxy-4-oxobutanoyl]oxyethyl] 4-O-[(2S,3R)-1-butan-2-ylsulfanyl-2-(2-chloropheny
SYSTEMATIC NAME: O1-[2-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-prop-2-enoyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[4-[(2S,3R)-1-butan-2-ylsulfanyl-2-(2-chlorophenyl)-4-oxidanylidene-azetidin-3-yl]oxy-4-oxidanylidene-butanoyl]oxy-ethyl] O4-[(2S,3R)-1-butan-2-ylsulf
MOLECULAR FORMULA: C46H54Cl2N2O15S2
MOLECULAR WEIGHT: 1009.96136
SMILES: CCC(C)SN1[C@H]([C@H](C1=O)OC(=O)CCC(=O)OCC([C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC(=O)C=C)OC(=O)CCC(=O)O[C@@H]4[C@@H](N(C4=O)SC(C)CC)C5=CC=CC=C5Cl)C6=CC=CC=C6Cl
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Product OPENEYE NAME: 1-[[4-(dimethylamino)phenyl]methyl]-3-[7-(hydroxyamino)-7-oxo-heptyl]urea
CAS Name: 7-[[[[4-(dimethylamino)phenyl]methylamino]-oxomethyl]amino]-N-hydroxyheptanamide
IUPAC NAME: 7-[[4-(dimethylamino)phenyl]methylcarbamoylamino]-N-hydroxyheptanamide
SYSTEMATIC NAME: 7-[[4-(dimethylamino)phenyl]methylcarbamoylamino]-N-oxidanyl-heptanamide
MOLECULAR FORMULA: C17H28N4O3
MOLECULAR WEIGHT: 336.42922
SMILES: CN(C)C1=CC=C(C=C1)CNC(=O)NCCCCCCC(=O)NO
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Product OPENEYE NAME: 1-[[4-(dimethylamino)phenyl]methyl]-3-[8-(hydroxyamino)-8-oxo-octyl]urea
CAS Name: 8-[[[[4-(dimethylamino)phenyl]methylamino]-oxomethyl]amino]-N-hydroxyoctanamide
IUPAC NAME: 8-[[4-(dimethylamino)phenyl]methylcarbamoylamino]-N-hydroxyoctanamide
SYSTEMATIC NAME: 8-[[4-(dimethylamino)phenyl]methylcarbamoylamino]-N-oxidanyl-octanamide
MOLECULAR FORMULA: C18H30N4O3
MOLECULAR WEIGHT: 350.4558
SMILES: CN(C)C1=CC=C(C=C1)CNC(=O)NCCCCCCCC(=O)NO
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Product OPENEYE NAME: [2-amino-7-(dimethylamino)phenothiazin-3-ylidene]-dimethyl-ammonium
CAS Name: [2-amino-7-(dimethylamino)-3-phenothiazinylidene]-dimethylammonium
IUPAC NAME: [2-amino-7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium
SYSTEMATIC NAME: [2-azanyl-7-(dimethylamino)phenothiazin-3-ylidene]-dimethyl-azanium
MOLECULAR FORMULA: C16H19N4S+
MOLECULAR WEIGHT: 299.41386
SMILES: CN(C)C1=CC2=C(C=C1)N=C3C=C(C(=[N+](C)C)C=C3S2)N
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Product OPENEYE NAME: 3-hydroxy-2-(m-tolyl)chromen-4-one
CAS Name: 3-hydroxy-2-(3-methylphenyl)-1-benzopyran-4-one
IUPAC NAME: 3-hydroxy-2-(3-methylphenyl)chromen-4-one
SYSTEMATIC NAME: 2-(3-methylphenyl)-3-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C16H12O3
MOLECULAR WEIGHT: 252.26468
SMILES: CC1=CC=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)O
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Product OPENEYE NAME: 3-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]propanoic acid
CAS Name: 3-[2-bromo-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]propanoic acid
IUPAC NAME: 3-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]propanoic acid
SYSTEMATIC NAME: 3-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]amino]propanoic acid
MOLECULAR FORMULA: C16H14BrN5O2
MOLECULAR WEIGHT: 388.21866
SMILES: C1=CC(=C(C(=C1)Br)NCCC(=O)O)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 3-bromo-N2-(3-morpholinopropyl)-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-bromo-N2-[3-(4-morpholinyl)propyl]-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-bromo-2-N-(3-morpholin-4-ylpropyl)-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-bromanyl-N2-(3-morpholin-4-ylpropyl)-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C20H23BrN6O
MOLECULAR WEIGHT: 443.34022
SMILES: C1COCCN1CCCNC2=C(C=CC=C2Br)NC3=NC=NC4=C3C=NC=C4
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Product OPENEYE NAME: [5-(5-cyano-1-methyl-pyrrol-2-yl)-7-fluoro-3,3-dimethyl-2-oxo-indolin-1-yl]methyl acetate
CAS Name: acetic acid [5-(5-cyano-1-methyl-2-pyrrolyl)-7-fluoro-3,3-dimethyl-2-oxo-1-indolyl]methyl ester
IUPAC NAME: [5-(5-cyano-1-methylpyrrol-2-yl)-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl]methyl acetate
SYSTEMATIC NAME: [5-(5-cyano-1-methyl-pyrrol-2-yl)-7-fluoranyl-3,3-dimethyl-2-oxidanylidene-indol-1-yl]methyl ethanoate
MOLECULAR FORMULA: C19H18FN3O3
MOLECULAR WEIGHT: 355.362923
SMILES: CC(=O)OCN1C2=C(C=C(C=C2F)C3=CC=C(N3C)C#N)C(C1=O)(C)C
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Product OPENEYE NAME: N4,N4-dimethyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2,4-triamine
CAS Name: N4,N4-dimethyl-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2,4-triamine
IUPAC NAME: 4-N,4-N-dimethyl-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2,4-triamine
SYSTEMATIC NAME: N4,N4-dimethyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2,4-triamine
MOLECULAR FORMULA: C15H16N6
MOLECULAR WEIGHT: 280.32774
SMILES: CN(C)C1=CC(=C(C=C1)NC2=NC=NC3=C2C=NC=C3)N
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Product OPENEYE NAME: 3-fluoro-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-fluoro-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-fluoro-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-fluoranyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C13H10FN5
MOLECULAR WEIGHT: 255.250403
SMILES: C1=CC(=C(C(=C1)F)N)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: N3,N3-dimethyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2,3-triamine
CAS Name: N3,N3-dimethyl-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2,3-triamine
IUPAC NAME: 3-N,3-N-dimethyl-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2,3-triamine
SYSTEMATIC NAME: N3,N3-dimethyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2,3-triamine
MOLECULAR FORMULA: C15H16N6
MOLECULAR WEIGHT: 280.32774
SMILES: CN(C)C1=CC=CC(=C1N)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: ethyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-cyano-4,5,6,7-tetrahydrobenzothiophene-5-carboxylate
CAS Name: 2-[[[2-chloro-5-(diethylsulfamoyl)phenyl]-oxomethyl]amino]-3-cyano-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-cyano-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylate
SYSTEMATIC NAME: ethyl 2-[[2-chloranyl-5-(diethylsulfamoyl)phenyl]carbonylamino]-3-cyano-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylate
MOLECULAR FORMULA: C23H26ClN3O5S2
MOLECULAR WEIGHT: 524.05264
SMILES: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=C(C3=C(S2)CCC(C3)C(=O)OCC)C#N
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Product OPENEYE NAME: 2,4-dichloro-N-[3-cyano-5-(4-hydroxyphenyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide
CAS Name: 2,4-dichloro-N-[3-cyano-5-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide
IUPAC NAME: 2,4-dichloro-N-[3-cyano-5-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide
SYSTEMATIC NAME: 2,4-bis(chloranyl)-N-[3-cyano-5-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide
MOLECULAR FORMULA: C26H25Cl2N3O4S2
MOLECULAR WEIGHT: 578.5304
SMILES: CCN(CC)S(=O)(=O)C1=C(C=C(C(=C1)C(=O)NC2=C(C3=C(S2)CCC(C3)C4=CC=C(C=C4)O)C#N)Cl)Cl
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Product OPENEYE NAME: 5-fluoro-2-[3-(trifluoromethyl)anilino]benzoic acid
CAS Name: 5-fluoro-2-[3-(trifluoromethyl)anilino]benzoic acid
IUPAC NAME: 5-fluoro-2-[3-(trifluoromethyl)anilino]benzoic acid
SYSTEMATIC NAME: 5-fluoranyl-2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid
MOLECULAR FORMULA: C14H9F4NO2
MOLECULAR WEIGHT: 299.220373
SMILES: C1=CC(=CC(=C1)NC2=C(C=C(C=C2)F)C(=O)O)C(F)(F)F
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Product OPENEYE NAME: (2-amino-4-pyridyl)-[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
CAS Name: (2-amino-4-pyridinyl)-[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
IUPAC NAME: (2-aminopyridin-4-yl)-[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
SYSTEMATIC NAME: (2-azanylpyridin-4-yl)-[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
MOLECULAR FORMULA: C29H34N4O3
MOLECULAR WEIGHT: 486.60526
SMILES: COC1=CC=CC=C1OC2=CC=CC=C2CN3CCC4(CC3)CCN(CC4)C(=O)C5=CC(=NC=C5)N
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-nitrophenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-[bis[(4-nitrophenyl)methyl]amino]propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-nitrophenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-nitrophenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C56H82N6O7
MOLECULAR WEIGHT: 951.28628
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NCCCN6CCN(CC6)CCCN(CC7=CC=C(C=C7)[N+](=O)[O-])CC8=CC=C(C=C8)[N+](=O)[O-]
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Product OPENEYE NAME: O8-ethyl O7-methyl (5R,7S)-1-benzyl-5-dodecanoyl-5-hydroxy-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7,8-dicarboxylate
CAS Name: (5R,7S)-5-hydroxy-5-(1-oxododecyl)-1-(phenylmethyl)-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7,8-dicarboxylic acid O8-ethyl ester O7-methyl ester
IUPAC NAME: 8-O-ethyl 7-O-methyl (5R,7S)-1-benzyl-5-dodecanoyl-5-hydroxy-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7,8-dicarboxylate
SYSTEMATIC NAME: O8-ethyl O7-methyl (5R,7S)-5-dodecanoyl-5-oxidanyl-1-(phenylmethyl)-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7,8-dicarboxylate
MOLECULAR FORMULA: C31H46N2O6
MOLECULAR WEIGHT: 542.70674
SMILES: CCCCCCCCCCCC(=O)[C@@]1(C[C@@H](C(=C2N1CCN2CC3=CC=CC=C3)C(=O)OCC)C(=O)OC)O
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Product OPENEYE NAME: 1-[[4-(dimethylamino)phenyl]methyl]-3-[6-(hydroxyamino)-6-oxo-hexyl]urea
CAS Name: 6-[[[[4-(dimethylamino)phenyl]methylamino]-oxomethyl]amino]-N-hydroxyhexanamide
IUPAC NAME: 6-[[4-(dimethylamino)phenyl]methylcarbamoylamino]-N-hydroxyhexanamide
SYSTEMATIC NAME: 6-[[4-(dimethylamino)phenyl]methylcarbamoylamino]-N-oxidanyl-hexanamide
MOLECULAR FORMULA: C16H26N4O3
MOLECULAR WEIGHT: 322.40264
SMILES: CN(C)C1=CC=C(C=C1)CNC(=O)NCCCCCC(=O)NO
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Product OPENEYE NAME: N-(4-chlorophenyl)-6-[(6,7-dimethoxy-4-quinolyl)oxy]naphthalene-1-carboxamide; methanesulfonic acid
CAS Name: N-(4-chlorophenyl)-6-[(6,7-dimethoxy-4-quinolinyl)oxy]-1-naphthalenecarboxamide; methanesulfonic acid
IUPAC NAME: N-(4-chlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide; methanesulfonic acid
SYSTEMATIC NAME: N-(4-chlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxy-naphthalene-1-carboxamide; methanesulfonic acid
MOLECULAR FORMULA: C29H25ClN2O7S
MOLECULAR WEIGHT: 581.036
SMILES: COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC4=C(C=C3)C(=CC=C4)C(=O)NC5=CC=C(C=C5)Cl.CS(=O)(=O)O
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