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

Catalog ID
STL543077
SMILES CSCC[C@@H](C(=O)N1CCc2c(C1)c1ccccc1[nH]2)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)24-11-13-30(32(43)19-25(24)28)40-31(15-17-48-5)37(44)41-16-14-29-26(20-41)23-8-6-7-9-27(23)39-29/h6-9,11,13,18-19,28,31,39H,10,12,14-17,20H2,1-5H3,(H,38,42)(H,40,43)/t28-,31-/m0
InChIKey
LDCFFNWJYPVTRT-IZEXYCQBSA-N
Synonyms

~(N)((7~(S))123trimethoxy10(((2~(S))4methylsulfanyl1oxo1(1345tetrahydropyrido(43b)indol2yl)butan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
110205972
CSCC(C@@H)(C(=O)N1CCc2c(C1)c1ccccc1(nH)2)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)24111330(32(43)1925(24)28)4031(1517485)37(44)4116142926(2041)23867927(23)3929h6911131819283139H1012141720H215H3(H3842)(H4043)t2831m0s1
N((7S)123trimethoxy10(((2S)4(methylsulfanyl)1oxo1(1345tetrahydro2Hpyrido(43b)indol2yl)butan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((S)1(34dihydro1Hpyrido(43b)indol2(5H)yl)4(methylthio)1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000253408836
ZINC253408836

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Available files

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