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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-oxobutan-2-yl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL546009
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)N2CCc3c(C2)c2cccc(c2[nH]3)Br)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 C37H41BrN4O6 MW 717.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H41BrN4O6/c1-19(2)33(37(45)42-15-14-28-25(18-42)23-8-7-9-26(38)34(23)40-28)41-29-13-11-22-24(17-30(29)44)27(39-20(3)43)12-10-21-16-31(46-4)35(47-5)36(48-6)32(21)22/h7-9,11,13,16-17,19,27,33,40H,10,12,14-15,18H2,1-6H3,(H,39,43)(H,41,44)/t27-,33
InChIKey
ZOHJKBZGFBXFIK-CMVGPNDKSA-N
Synonyms

~(N)((7~(S))10(((2~(S))1(6bromo1345tetrahydropyrido(43b)indol2yl)3methyl1oxobutan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541539
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)N2CCc3c(C2)c2cccc(c2(nH)3)Br)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC37H41BrN4O6c119(2)33(37(45)4215142825(1842)2387926(38)34(23)4028)412913112224(1730(29)44)27(3920(3)43)1210211631(464)35(475)36(486)32(21)22h791113161719273340H1012141518H216H3(H3943)(H4144)t2733m0s1
N((7S)10(((2S)1(6bromo1345tetrahydro2Hpyrido(43b)indol2yl)3methyl1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((S)1(6bromo34dihydro1Hpyrido(43b)indol2(5H)yl)3methyl1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263586915
ZINC263586915

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Available files

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