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N-[(7S)-10-{[(2S)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-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
STL543749
SMILES CSCC[C@@H](C(=O)N1CCC(CC1)(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 C37H44ClN3O7S MW 710.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H44ClN3O7S/c1-22(42)39-28-12-6-23-20-32(46-2)34(47-3)35(48-4)33(23)26-11-13-29(31(43)21-27(26)28)40-30(14-19-49-5)36(44)41-17-15-37(45,16-18-41)24-7-9-25(38)10-8-24/h7-11,13,20-21,28,30,45H,6,12,14-19H2,1-5H3,(H,39,42)(H,40,43)/t28-,30-/m0/s1
InChIKey
YRDKSDADXCNHRS-JDXGNMNLSA-N
Synonyms

~(N)((7~(S))10(((2~(S))1(4(4chlorophenyl)4hydroxypiperidin1yl)4methylsulfanyl1oxobutan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
110206058
CSCC(C@@H)(C(=O)N1CCC(CC1)(O)c1ccc(cc1)Cl)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC37H44ClN3O7Sc122(42)3928126232032(462)34(473)35(484)33(23)26111329(31(43)2127(26)28)4030(1419495)36(44)41171537(45161841)247925(38)10824h711132021283045H6121419H215H3(H3942)(H4043)t2830m0s1
N((7S)10(((2S)1(4(4chlorophenyl)4hydroxypiperidin1yl)4(methylsulfanyl)1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((S)1(4(4chlorophenyl)4hydroxypiperidin1yl)4(methylthio)1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000253414805
ZINC253414805

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Available files

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