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N-[(7S)-1,2,3-trimethoxy-10-{[(2S)-3-methyl-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
STL545777
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)N2CCc3c(C2)c2ccccc2[nH]3)C(C)C)NC(=O)C)cc(c1OC)OC

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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 C37H42N4O6 MW 638.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H42N4O6/c1-20(2)34(37(44)41-16-15-29-26(19-41)23-9-7-8-10-27(23)39-29)40-30-14-12-24-25(18-31(30)43)28(38-21(3)42)13-11-22-17-32(45-4)35(46-5)36(47-6)33(22)24/h7-10,12,14,17-18,20,28,34,39H,11,13,15-16,19H2,1-6H3,(H,38,42)(H,40,43)/t28-,34-/m0
InChIKey
MRGJJMDYJQICMC-GVYVVWIYSA-N
Synonyms

~(N)((7~(S))123trimethoxy10(((2~(S))3methyl1oxo1(1345tetrahydropyrido(43b)indol2yl)butan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
110206328
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)N2CCc3c(C2)c2ccccc2(nH)3)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC37H42N4O6c120(2)34(37(44)4116152926(1941)239781027(23)3929)403014122425(1831(30)43)28(3821(3)42)1311221732(454)35(465)36(476)33(22)24h7101214171820283439H1113151619H216H3(H3842)(H4043)t2834m0s1
N((7S)123trimethoxy10(((2S)3methyl1oxo1(1345tetrahydro2Hpyrido(43b)indol2yl)butan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((S)1(34dihydro1Hpyrido(43b)indol2(5H)yl)3methyl1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000253409961
ZINC253409961

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Available files

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