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

Catalog ID
STL548200
SMILES CC[C@H]([C@@H](C(=O)N1CCc2c(C1)c1cccc(c1[nH]2)Br)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C38H43BrN4O6 MW 731.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H43BrN4O6/c1-7-20(2)34(38(46)43-16-15-29-26(19-43)24-9-8-10-27(39)35(24)41-29)42-30-14-12-23-25(18-31(30)45)28(40-21(3)44)13-11-22-17-32(47-4)36(48-5)37(49-6)33(22)23/h8-10,12,14,17-18,20,28,34,41H,7,11,13,15-16,19H2,1-6H3,(H,40,44)(H,42,45)/t
InChIKey
NOMUXQWPDNDLEB-SRPOMQQLSA-N
Synonyms

~(N)((7~(S))10(((2~(S)3~(R))1(6bromo1345tetrahydropyrido(43b)indol2yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121542139
CC(C@H)((C@@H)(C(=O)N1CCc2c(C1)c1cccc(c1(nH)2)Br)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC38H43BrN4O6c1720(2)34(38(46)4316152926(1943)24981027(39)35(24)4129)423014122325(1831(30)45)28(4021(3)44)1311221732(474)36(485)37(496)33(22)23h8101214171820283441H71113151619H216H3(H4044)(H4245)t2028+34+m1s1
N((7S)10(((2S)1(6bromo1345tetrahydro2Hpyrido(43b)indol2yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((2S3R)1(6bromo34dihydro1Hpyrido(43b)indol2(5H)yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263585890
ZINC263585890

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Available files

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