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N-[(7S)-1,2,3-trimethoxy-10-{[(2S)-4-(methylsulfanyl)-1-oxo-1-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)butan-2-yl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL548686
SMILES CSCC[C@@H](C(=O)N1CCc2c(C1)[nH]c1c2cccc1)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 C37H42N4O6S MW 670.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H42N4O6S/c1-21(42)38-28-12-10-22-18-33(45-2)35(46-3)36(47-4)34(22)25-11-13-29(32(43)19-26(25)28)40-30(15-17-48-5)37(44)41-16-14-24-23-8-6-7-9-27(23)39-31(24)20-41/h6-9,11,13,18-19,28,30,39H,10,12,14-17,20H2,1-5H3,(H,38,42)(H,40,43)/t28-,30-/m0
InChIKey
MZQHEOYPGILVIU-JDXGNMNLSA-N
Synonyms

~(N)((7~(S))123trimethoxy10(((2~(S))4methylsulfanyl1oxo1(1349tetrahydropyrido(34b)indol2yl)butan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541642
CSCC(C@@H)(C(=O)N1CCc2c(C1)(nH)c1c2cccc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC37H42N4O6Sc121(42)38281210221833(452)35(463)36(474)34(22)25111329(32(43)1926(25)28)4030(1517485)37(44)4116142423867927(23)3931(24)2041h6911131819283039H1012141720H215H3(H3842)(H4043)t2830m0s1
N((7S)123trimethoxy10(((2S)4(methylsulfanyl)1oxo1(1349tetrahydro2Hbetacarbolin2yl)butan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((S)1(34dihydro1Hpyrido(34b)indol2(9H)yl)4(methylthio)1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263585827
ZINC263585827

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Available files

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