Product OPENEYE NAME: 4-methylsulfinyl-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
CAS Name: 4-methylsulfinyl-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-pyridinone
IUPAC NAME: 4-methylsulfinyl-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
SYSTEMATIC NAME: 4-methylsulfinyl-6-propyl-1-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
MOLECULAR FORMULA: C23H23N5O2S
MOLECULAR WEIGHT: 433.52602
SMILES: CCCC1=CC(=CC(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)S(=O)C
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Product OPENEYE NAME: (E)-3-[(9E)-6-methyl-4-oxo-9-(phenylhydrazono)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoic acid
CAS Name: (E)-3-[(9E)-6-methyl-4-oxo-9-(phenylhydrazinylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-3-yl]-2-propenoic acid
IUPAC NAME: (E)-3-[(9E)-6-methyl-4-oxo-9-(phenylhydrazinylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[(9E)-6-methyl-4-oxidanylidene-9-(phenylhydrazinylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoic acid
MOLECULAR FORMULA: C18H18N4O3
MOLECULAR WEIGHT: 338.36052
SMILES: CC1CC/C(=N\NC2=CC=CC=C2)/C3=NC=C(C(=O)N13)/C=C/C(=O)O
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Product OPENEYE NAME: copper (NE,1Z)-N-[1-(2-pyridyl)ethylidene]azepane-1-carbohydrazonothioate isothiocyanate
CAS Name: copper (NE,1Z)-N-[1-(2-pyridinyl)ethylidene]-1-azepanecarbohydrazonothioate isothiocyanate
IUPAC NAME: copper (NE,1Z)-N-(1-pyridin-2-ylethylidene)azepane-1-carbohydrazonothioate isothiocyanate
SYSTEMATIC NAME: copper (NE,1Z)-N-(1-pyridin-2-ylethylidene)azepane-1-carbohydrazonothioate isothiocyanate
MOLECULAR FORMULA: C15H19CuN5S2
MOLECULAR WEIGHT: 397.02086
SMILES: C/C(=N\N=C(\N1CCCCCC1)/[S-])/C2=CC=CC=N2.C(=[N-])=S.[Cu+2]
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Product OPENEYE NAME: methyl (2S)-2-[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]-4-methyl-pentanoate
CAS Name: (2S)-2-[[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester
IUPAC NAME: methyl (2S)-2-[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]-4-methylpentanoate
SYSTEMATIC NAME: methyl (2S)-2-[[(1R,3S)-1-(3,5-dimethoxy-4-oxidanyl-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]carbonylamino]-4-methyl-pentanoate
MOLECULAR FORMULA: C27H33N3O6
MOLECULAR WEIGHT: 495.56742
SMILES: CC(C)C[C@@H](C(=O)OC)NC(=O)[C@@H]1CC2=C([C@H](N1)C3=CC(=C(C(=C3)OC)O)OC)NC4=CC=CC=C24
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Product OPENEYE NAME: 3-hydroxy-7-methoxy-2,2,10-trimethyl-3,4-dihydropyrano[2,3-b]quinolin-5-one
CAS Name: 3-hydroxy-7-methoxy-2,2,10-trimethyl-3,4-dihydropyrano[2,3-b]quinolin-5-one
IUPAC NAME: 3-hydroxy-7-methoxy-2,2,10-trimethyl-3,4-dihydropyrano[2,3-b]quinolin-5-one
SYSTEMATIC NAME: 7-methoxy-2,2,10-trimethyl-3-oxidanyl-3,4-dihydropyrano[2,3-b]quinolin-5-one
MOLECULAR FORMULA: C16H19NO4
MOLECULAR WEIGHT: 289.32636
SMILES: CC1(C(CC2=C(O1)N(C3=C(C2=O)C=C(C=C3)OC)C)O)C
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Product OPENEYE NAME: 5-[(3,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-isothiazole
CAS Name: 5-[(3,4-dimethylphenyl)-(4-methyl-1-piperazinyl)methyl]-3-methylisothiazole
IUPAC NAME: 5-[(3,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
SYSTEMATIC NAME: 5-[(3,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
MOLECULAR FORMULA: C18H25N3S
MOLECULAR WEIGHT: 315.4762
SMILES: CC1=C(C=C(C=C1)C(C2=CC(=NS2)C)N3CCN(CC3)C)C
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Product OPENEYE NAME: (3S,6S,9R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-un
CAS Name: (3S,6S,9R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,
IUPAC NAME: (3S,6S,9R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,
SYSTEMATIC NAME: (3S,6S,9R,15S,18S,21S,24S,30S,33S)-30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,2
MOLECULAR FORMULA: C62H111N11O12
MOLECULAR WEIGHT: 1202.61124
SMILES: CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)NC(C(=O)N([C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
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Product OPENEYE NAME: methyl (2R)-2-[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]-4-methylsulfanyl-butanoate
CAS Name: (2R)-2-[[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]-4-methylsulfanylbutanoate
SYSTEMATIC NAME: methyl (2R)-2-[[(1R,3S)-1-(3,5-dimethoxy-4-oxidanyl-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]carbonylamino]-4-methylsulfanyl-butanoate
MOLECULAR FORMULA: C26H31N3O6S
MOLECULAR WEIGHT: 513.60584
SMILES: COC1=CC(=CC(=C1O)OC)[C@@H]2C3=C(C[C@H](N2)C(=O)N[C@H](CCSC)C(=O)OC)C4=CC=CC=C4N3
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Product OPENEYE NAME: 2-[(3S,6S,9E,12S,15S,18S,21S,24R,27S)-18-(4-aminobutyl)-15,24-bis(2-aminoethyl)-3-(2-chloro-1-hydroxy-ethyl)-9-ethylidene-12-(1-hydroxyethyl)-6-[(1S)-1-hydroxy-2-oxo-2-(propylamino)ethyl]-27-(3-hydroxytetradecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-1-
CAS Name: 2-[(3S,6S,9E,12S,15S,18S,21S,24R,27S)-18-(4-aminobutyl)-15,24-bis(2-aminoethyl)-3-(2-chloro-1-hydroxyethyl)-9-ethylidene-12-(1-hydroxyethyl)-6-[(1S)-1-hydroxy-2-oxo-2-(propylamino)ethyl]-27-[(3-hydroxy-1-oxotetradecyl)amino]-2,5,8,11,14,17,20,23,26-nonaox
IUPAC NAME: 2-[(3S,6S,9E,12S,15S,18S,21S,24R,27S)-18-(4-aminobutyl)-15,24-bis(2-aminoethyl)-3-(2-chloro-1-hydroxyethyl)-9-ethylidene-12-(1-hydroxyethyl)-6-[(1S)-1-hydroxy-2-oxo-2-(propylamino)ethyl]-27-(3-hydroxytetradecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-1-o
SYSTEMATIC NAME: 2-[(3S,6S,9E,12S,15S,18S,21S,24R,27S)-18-(4-azanylbutyl)-15,24-bis(2-azanylethyl)-3-(2-chloranyl-1-oxidanyl-ethyl)-9-ethylidene-12-(1-hydroxyethyl)-2,5,8,11,14,17,20,23,26-nonakis(oxidanylidene)-6-[(1S)-1-oxidanyl-2-oxidanylidene-2-(propylamino)ethyl]-27-
MOLECULAR FORMULA: C54H94ClN13O18
MOLECULAR WEIGHT: 1248.85346
SMILES: CCCCCCCCCCCC(CC(=O)N[C@H]1COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)/C(=C\C)/NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CCN)CC(=O)O)CCCCN)CCN)C(C)O)[C@@H](C(=O)NCCC)O)C(CCl)O)O
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