Vitas-M small molecule compound

N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[1-(propan-2-yl)-1H-indol-4-yl]-L-methioninamide

Catalog ID
STL541273
SMILES CSCC[C@@H](C(=O)Nc1cccc2c1ccn2C(C)C)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 C37H44N4O6S MW 672.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H44N4O6S/c1-21(2)41-17-15-25-27(9-8-10-31(25)41)40-37(44)30(16-18-48-7)39-29-14-12-24-26(20-32(29)43)28(38-22(3)42)13-11-23-19-33(45-4)35(46-5)36(47-6)34(23)24/h8-10,12,14-15,17,19-21,28,30H,11,13,16,18H2,1-7H3,(H,38,42)(H,39,43)(H,40,44)/t28-
InChIKey
SZUQOEVCPDZDQS-JDXGNMNLSA-N
Synonyms
1574292-57-1
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)(1propan2ylindol4yl)butanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1isopropyl1Hindol4yl)4(methylthio)butanamide
1574292571
75491207
CSCC(C@@H)(C(=O)Nc1cccc2c1ccn2C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC37H44N4O6Sc121(2)4117152527(981031(25)41)4037(44)30(1618487)392914122426(2032(29)43)28(3822(3)42)1311231933(454)35(465)36(476)34(23)24h8101214151719212830H11131618H217H3(H3842)(H3943)(H4044)t2830m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(1(propan2yl)1Hindol4yl)Lmethioninamide
ZINC000150653078
ZINC150653078

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Available files

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