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N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-1H-indol-6-yl-L-methioninamide

Catalog ID
STL548757
SMILES CSCC[C@@H](C(=O)Nc1ccc2c(c1)[nH]cc2)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 C34H38N4O6S MW 630.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38N4O6S/c1-19(39)36-25-10-7-21-16-30(42-2)32(43-3)33(44-4)31(21)23-9-11-26(29(40)18-24(23)25)38-27(13-15-45-5)34(41)37-22-8-6-20-12-14-35-28(20)17-22/h6,8-9,11-12,14,16-18,25,27,35H,7,10,13,15H2,1-5H3,(H,36,39)(H,37,41)(H,38,40)/t25-,27-/m0/s
InChIKey
AJLRYHNRVZKJEZ-BDYUSTAISA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1~(H)indol6yl)4methylsulfanylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1Hindol6yl)4(methylthio)butanamide
110207118
CSCC(C@@H)(C(=O)Nc1ccc2c(c1)(nH)cc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC34H38N4O6Sc119(39)3625107211630(422)32(433)33(444)31(21)2391126(29(40)1824(23)25)3827(1315455)34(41)3722862012143528(20)1722h6891112141618252735H7101315H215H3(H3639)(H3741)(H3840)t2527m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N1Hindol6ylLmethioninamide
ZINC000253395304
ZINC253395304

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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