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N-[(7S)-10-{[(2S)-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL547364
SMILES CSCC[C@@H](C(=O)N1CCCC1c1ccc(cc1OC)OC)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C38H47N3O8S MW 705.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H47N3O8S/c1-22(42)39-28-14-10-23-19-34(47-4)36(48-5)37(49-6)35(23)25-13-15-29(32(43)21-27(25)28)40-30(16-18-50-7)38(44)41-17-8-9-31(41)26-12-11-24(45-2)20-33(26)46-3/h11-13,15,19-21,28,30-31H,8-10,14,16-18H2,1-7H3,(H,39,42)(H,40,43)/t28-,30-,3
InChIKey
ULRPKNXAJVTGHF-GRMXABTLSA-N
Synonyms

~(N)((7~(S))10(((2~(S))1(2(24dimethoxyphenyl)pyrrolidin1yl)4methylsulfanyl1oxobutan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541330
CSCC(C@@H)(C(=O)N1CCCC1c1ccc(cc1OC)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC38H47N3O8Sc122(42)39281410231934(474)36(485)37(496)35(23)25131529(32(43)2127(25)28)4030(1618507)38(44)41178931(41)26121124(452)2033(26)463h1113151921283031H810141618H217H3(H3942)(H4043)t283031?m0s1
N((7S)10(((2S)1(2(24dimethoxyphenyl)pyrrolidin1yl)4(methylsulfanyl)1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((7S)10(((2S)1(2(24dimethoxyphenyl)pyrrolidin1yl)4(methylthio)1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263586437
ZINC000263586438

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Available files

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