Product OPENEYE NAME: (2S)-2-[cyclohexylmethyl-[2-(6-methoxy-1H-indol-3-yl)-2-oxo-acetyl]amino]propanoic acid
CAS Name: (2S)-2-[cyclohexylmethyl-[2-(6-methoxy-1H-indol-3-yl)-1,2-dioxoethyl]amino]propanoic acid
IUPAC NAME: (2S)-2-[cyclohexylmethyl-[2-(6-methoxy-1H-indol-3-yl)-2-oxoacetyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-2-[cyclohexylmethyl-[2-(6-methoxy-1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]propanoic acid
MOLECULAR FORMULA: C21H26N2O5
MOLECULAR WEIGHT: 386.44154
SMILES: C[C@@H](C(=O)O)N(CC1CCCCC1)C(=O)C(=O)C2=CNC3=C2C=CC(=C3)OC
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Product OPENEYE NAME: 2-[4-[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxy-1-piperidyl]-N-methyl-acetamide; fumaric acid
CAS Name: (E)-2-butenedioic acid; 2-[4-[[4-(3-chloro-2-fluoroanilino)-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-N-methylacetamide
IUPAC NAME: (E)-but-2-enedioic acid; 2-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-N-methylacetamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-[4-[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]-N-methyl-ethanamide
MOLECULAR FORMULA: C31H33ClFN5O11
MOLECULAR WEIGHT: 706.072023
SMILES: CNC(=O)CN1CCC(CC1)OC2=C(C=C3N=CN=C(C3=C2)NC4=C(C(=CC=C4)Cl)F)OC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
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Product OPENEYE NAME: 2-(1-ethylpropyl)-6-isopropyl-phenol
CAS Name: 2-pentan-3-yl-6-propan-2-ylphenol
IUPAC NAME: 2-pentan-3-yl-6-propan-2-ylphenol
SYSTEMATIC NAME: 2-pentan-3-yl-6-propan-2-yl-phenol
MOLECULAR FORMULA: C14H22O
MOLECULAR WEIGHT: 206.32388
SMILES: CCC(CC)C1=CC=CC(=C1O)C(C)C
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Product OPENEYE NAME: N-cyclopropyl-3-[(3,4-difluorobenzoyl)amino]-4-methyl-benzamide
CAS Name: N-cyclopropyl-3-[[(3,4-difluorophenyl)-oxomethyl]amino]-4-methylbenzamide
IUPAC NAME: N-cyclopropyl-3-[(3,4-difluorobenzoyl)amino]-4-methylbenzamide
SYSTEMATIC NAME: 3-[[3,4-bis(fluoranyl)phenyl]carbonylamino]-N-cyclopropyl-4-methyl-benzamide
MOLECULAR FORMULA: C18H16F2N2O2
MOLECULAR WEIGHT: 330.328646
SMILES: CC1=C(C=C(C=C1)C(=O)NC2CC2)NC(=O)C3=CC(=C(C=C3)F)F
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Product OPENEYE NAME: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]-2-furyl]quinazolin-4-amine; N1'-[3-fluoro-4-[[6-methoxy-7-(3-morpholinopropoxy)-4-quinolyl]oxy]phenyl]-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CAS Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]-2-furanyl]-4-quinazolinamine; N1'-[3-fluoro-4-[[6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinolinyl]oxy]phenyl]-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
IUPAC NAME: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine; 1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SYSTEMATIC NAME: N-[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine; N1'-[3-fluoranyl-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-phenyl]-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
MOLECULAR FORMULA: C63H60ClF3N8O10S
MOLECULAR WEIGHT: 1213.71131
SMILES: COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F.CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl
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Product OPENEYE NAME: ammonium [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl bis[[4-(2-methylpropanoyloxy)phenyl]methoxy]phosphoryl phosphate
CAS Name: ammonium [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl bis[[4-(2-methyl-1-oxopropoxy)phenyl]methoxy]phosphoryl phosphate
IUPAC NAME: azanium [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis[[4-(2-methylpropanoyloxy)phenyl]methoxy]phosphoryl phosphate
SYSTEMATIC NAME: azanium [(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl bis[[4-(2-methylpropanoyloxy)phenyl]methoxy]phosphoryl phosphate
MOLECULAR FORMULA: C32H42N6O14P2
MOLECULAR WEIGHT: 796.655202
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(OCC3=CC=C(C=C3)OC(=O)C(C)C)OCC4=CC=C(C=C4)OC(=O)C(C)C)N=[N+]=[N-].[NH4+]
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Product OPENEYE NAME: [4-[[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[4-(2-methylpropanoyloxy)phenyl]methoxy]phosphoryl]oxymethyl]phenyl] 2-methylpropanoate
CAS Name: 2-methylpropanoic acid [4-[[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-[[4-(2-methyl-1-oxopropoxy)phenyl]methoxy]phosphoryl]oxymethyl]phenyl] ester
IUPAC NAME: [4-[[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[[4-(2-methylpropanoyloxy)phenyl]methoxy]phosphoryl]oxymethyl]phenyl] 2-methylpropanoate
SYSTEMATIC NAME: [4-[[[[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[4-(2-methylpropanoyloxy)phenyl]methoxy]phosphoryl]oxymethyl]phenyl] 2-methylpropanoate
MOLECULAR FORMULA: C32H39N5O14P2
MOLECULAR WEIGHT: 779.624682
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(OCC3=CC=C(C=C3)OC(=O)C(C)C)OCC4=CC=C(C=C4)OC(=O)C(C)C)N=[N+]=[N-]
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Product OPENEYE NAME: ammonium [(4-heptanoyloxyphenyl)methoxy-[(4-octanoyloxyphenyl)methoxy]phosphoryl] [(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl phosphate
CAS Name: ammonium [(2S,5R)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2,5-dihydrofuran-2-yl]methyl [[4-(1-oxoheptoxy)phenyl]methoxy-[[4-(1-oxooctoxy)phenyl]methoxy]phosphoryl] phosphate
IUPAC NAME: azanium [(4-heptanoyloxyphenyl)methoxy-[(4-octanoyloxyphenyl)methoxy]phosphoryl] [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl phosphate
SYSTEMATIC NAME: azanium [(4-heptanoyloxyphenyl)methoxy-[(4-octanoyloxyphenyl)methoxy]phosphoryl] [(2S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,5-dihydrofuran-2-yl]methyl phosphate
MOLECULAR FORMULA: C39H55N3O14P2
MOLECULAR WEIGHT: 851.813222
SMILES: CCCCCCCC(=O)OC1=CC=C(C=C1)COP(=O)(OCC2=CC=C(C=C2)OC(=O)CCCCCC)OP(=O)([O-])OC[C@@H]3C=C[C@@H](O3)N4C=C(C(=O)NC4=O)C.[NH4+]
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Product OPENEYE NAME: [4-[[(4-heptanoyloxyphenyl)methoxy-[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxy-phosphoryl]oxymethyl]phenyl] octanoate
CAS Name: octanoic acid [4-[[[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxy-[[4-(1-oxoheptoxy)phenyl]methoxy]phosphoryl]oxymethyl]phenyl] ester
IUPAC NAME: [4-[[(4-heptanoyloxyphenyl)methoxy-[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxymethyl]phenyl] octanoate
SYSTEMATIC NAME: [4-[[(4-heptanoyloxyphenyl)methoxy-[[(2S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,5-dihydrofuran-2-yl]methoxy-oxidanyl-phosphoryl]oxy-phosphoryl]oxymethyl]phenyl] octanoate
MOLECULAR FORMULA: C39H52N2O14P2
MOLECULAR WEIGHT: 834.782702
SMILES: CCCCCCCC(=O)OC1=CC=C(C=C1)COP(=O)(OCC2=CC=C(C=C2)OC(=O)CCCCCC)OP(=O)(O)OC[C@@H]3C=C[C@@H](O3)N4C=C(C(=O)NC4=O)C
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Product OPENEYE NAME: ammonium bis[(4-benzoyloxyphenyl)methoxy]phosphoryl [(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl phosphate
CAS Name: ammonium bis[(4-benzoyloxyphenyl)methoxy]phosphoryl [(2S,5R)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2,5-dihydrofuran-2-yl]methyl phosphate
IUPAC NAME: azanium bis[(4-benzoyloxyphenyl)methoxy]phosphoryl [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl phosphate
SYSTEMATIC NAME: azanium bis[[4-(phenylcarbonyloxy)phenyl]methoxy]phosphoryl [(2S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,5-dihydrofuran-2-yl]methyl phosphate
MOLECULAR FORMULA: C38H37N3O14P2
MOLECULAR WEIGHT: 821.659602
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)([O-])OP(=O)(OCC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)OCC5=CC=C(C=C5)OC(=O)C6=CC=CC=C6.[NH4+]
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Product OPENEYE NAME: 5-chloro-1-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-imino-pyridine-3-carboxamide
CAS Name: 5-chloro-1-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-imino-3-pyridinecarboxamide
IUPAC NAME: 5-chloro-1-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide
SYSTEMATIC NAME: 2-azanylidene-1-[(1R)-1-[3,5-bis(fluoranyl)phenyl]ethyl]-5-chloranyl-pyridine-3-carboxamide
MOLECULAR FORMULA: C14H12ClF2N3O
MOLECULAR WEIGHT: 311.714386
SMILES: C[C@H](C1=CC(=CC(=C1)F)F)N2C=C(C=C(C2=N)C(=O)N)Cl
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