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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-(1-methyl-1H-indol-4-yl)-L-methioninamide

Catalog ID
STL539971
SMILES CSCC[C@@H](C(=O)Nc1cccc2c1ccn2C)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 C35H40N4O6S MW 644.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N4O6S/c1-20(40)36-26-12-10-21-18-31(43-3)33(44-4)34(45-5)32(21)22-11-13-27(30(41)19-24(22)26)37-28(15-17-46-6)35(42)38-25-8-7-9-29-23(25)14-16-39(29)2/h7-9,11,13-14,16,18-19,26,28H,10,12,15,17H2,1-6H3,(H,36,40)(H,37,41)(H,38,42)/t26-,28-/m0
InChIKey
KRGLMZZLFCVEDC-XCZPVHLTSA-N
Synonyms
1574289-65-8
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1methylindol4yl)4methylsulfanylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1methyl1Hindol4yl)4(methylthio)butanamide
1574289658
75491084
CSCC(C@@H)(C(=O)Nc1cccc2c1ccn2C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC35H40N4O6Sc120(40)36261210211831(433)33(444)34(455)32(21)22111327(30(41)1924(22)26)3728(1517466)35(42)38258792923(25)141639(29)2h791113141618192628H10121517H216H3(H3640)(H3741)(H3842)t2628m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(1methyl1Hindol4yl)Lmethioninamide
ZINC000150653016
ZINC150653016

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Available files

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

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