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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-5-yl-L-methioninamide

Catalog ID
STL546724
SMILES CSCC[C@@H](C(=O)Nc1ccc2c(c1)cc[nH]2)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)36-26-9-6-21-17-30(42-2)32(43-3)33(44-4)31(21)23-8-11-27(29(40)18-24(23)26)38-28(13-15-45-5)34(41)37-22-7-10-25-20(16-22)12-14-35-25/h7-8,10-12,14,16-18,26,28,35H,6,9,13,15H2,1-5H3,(H,36,39)(H,37,41)(H,38,40)/t26-,28-/m0/s1
InChIKey
QTAKURNRCAEHMW-XCZPVHLTSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1~(H)indol5yl)4methylsulfanylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1Hindol5yl)4(methylthio)butanamide
110207670
CSCC(C@@H)(C(=O)Nc1ccc2c(c1)cc(nH)2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC34H38N4O6Sc119(39)362696211730(422)32(433)33(444)31(21)2381127(29(40)1824(23)26)3828(1315455)34(41)37227102520(1622)12143525h781012141618262835H691315H215H3(H3639)(H3741)(H3840)t2628m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N1Hindol5ylLmethioninamide
ZINC000253412361
ZINC253412361

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Available files

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

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