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

Catalog ID
STL548019
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCCCC(=O)N2CCc3c(C2)c2cccc(c2[nH]3)Br)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 C38H43BrN4O6 MW 731.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H43BrN4O6/c1-22(44)41-29-14-12-23-19-33(47-2)37(48-3)38(49-4)35(23)24-13-15-31(32(45)20-26(24)29)40-17-7-5-6-11-34(46)43-18-16-30-27(21-43)25-9-8-10-28(39)36(25)42-30/h8-10,13,15,19-20,29,42H,5-7,11-12,14,16-18,21H2,1-4H3,(H,40,45)(H,41,44)/t2
InChIKey
IGRQQBJWAYJYAO-LJAQVGFWSA-N
Synonyms

(S)N(10((6(6bromo34dihydro1Hpyrido(43b)indol2(5H)yl)6oxohexyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
~(N)((7~(S))10((6(6bromo1345tetrahydropyrido(43b)indol2yl)6oxohexyl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541562
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCCCC(=O)N2CCc3c(C2)c2cccc(c2(nH)3)Br)NC(=O)C)cc(c1OC)OC
InChI=1SC38H43BrN4O6c122(44)41291412231933(472)37(483)38(494)35(23)24131531(32(45)2026(24)29)40177561134(46)4318163027(2143)25981028(39)36(25)4230h810131519202942H57111214161821H214H3(H4045)(H4144)t29m0s1
N((7S)10((6(6bromo1345tetrahydro2Hpyrido(43b)indol2yl)6oxohexyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263585409
ZINC263585409

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Available files

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