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N-[(7S)-10-{[(2S)-1-{4-[(4-chlorophenyl)sulfonyl]piperazin-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
STL547974
SMILES CSCC[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl)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 C36H43ClN4O8S2 MW 759.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H43ClN4O8S2/c1-22(42)38-28-12-6-23-20-32(47-2)34(48-3)35(49-4)33(23)26-11-13-29(31(43)21-27(26)28)39-30(14-19-50-5)36(44)40-15-17-41(18-16-40)51(45,46)25-9-7-24(37)8-10-25/h7-11,13,20-21,28,30H,6,12,14-19H2,1-5H3,(H,38,42)(H,39,43)/t28-,30-/m0
InChIKey
FNBVEZLWTSEAOP-JDXGNMNLSA-N
Synonyms

~(N)((7~(S))10(((2~(S))1(4(4chlorophenyl)sulfonylpiperazin1yl)4methylsulfanyl1oxobutan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121542157
CSCC(C@@H)(C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC36H43ClN4O8S2c122(42)3828126232032(472)34(483)35(494)33(23)26111329(31(43)2127(26)28)3930(1419505)36(44)40151741(181640)51(4546)259724(37)81025h7111320212830H6121419H215H3(H3842)(H3943)t2830m0s1
N((7S)10(((2S)1(4((4chlorophenyl)sulfonyl)piperazin1yl)4(methylsulfanyl)1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((S)1(4((4chlorophenyl)sulfonyl)piperazin1yl)4(methylthio)1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263585138
ZINC263585138

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Available files

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