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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-4-yl-L-methioninamide

Catalog ID
STL540067
SMILES CSCC[C@@H](C(=O)Nc1cccc2c1cc[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)36-26-11-9-20-17-30(42-2)32(43-3)33(44-4)31(20)21-10-12-27(29(40)18-23(21)26)37-28(14-16-45-5)34(41)38-25-8-6-7-24-22(25)13-15-35-24/h6-8,10,12-13,15,17-18,26,28,35H,9,11,14,16H2,1-5H3,(H,36,39)(H,37,40)(H,38,41)/t26-,28-/m0/
InChIKey
IRKWYGZPYONXNE-XCZPVHLTSA-N
Synonyms
1574295-67-2
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1~(H)indol4yl)4methylsulfanylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1Hindol4yl)4(methylthio)butanamide
1574295672
75491757
CSCC(C@@H)(C(=O)Nc1cccc2c1cc(nH)2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC34H38N4O6Sc119(39)3626119201730(422)32(433)33(444)31(20)21101227(29(40)1823(21)26)3728(1416455)34(41)38258672422(25)13153524h68101213151718262835H9111416H215H3(H3639)(H3740)(H3841)t2628m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N1Hindol4ylLmethioninamide
ZINC000108449453
ZINC108449453

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Available files

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

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