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

Catalog ID
STL546390
SMILES CSCC[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

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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 C37H41BrN4O6S MW 749.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H41BrN4O6S/c1-20(43)39-27-11-9-21-17-32(46-2)35(47-3)36(48-4)33(21)22-10-12-29(31(44)18-24(22)27)40-30(14-16-49-5)37(45)42-15-13-28-25(19-42)23-7-6-8-26(38)34(23)41-28/h6-8,10,12,17-18,27,30,41H,9,11,13-16,19H2,1-5H3,(H,39,43)(H,40,44)/t27-,30
InChIKey
WSAOCCMBKTZDFG-FIBWVYCGSA-N
Synonyms

~(N)((7~(S))10(((2~(S))1(6bromo1345tetrahydropyrido(43b)indol2yl)4methylsulfanyl1oxobutan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541597
CSCC(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
InChI=1SC37H41BrN4O6Sc120(43)3927119211732(462)35(473)36(484)33(21)22101229(31(44)1824(22)27)4030(1416495)37(45)4215132825(1942)2376826(38)34(23)4128h6810121718273041H911131619H215H3(H3943)(H4044)t2730m0s1
N((7S)10(((2S)1(6bromo1345tetrahydro2Hpyrido(43b)indol2yl)4(methylsulfanyl)1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((S)1(6bromo34dihydro1Hpyrido(43b)indol2(5H)yl)4(methylthio)1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263586667
ZINC263586667

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Available files

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