Vitas-M small molecule compound

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

Catalog ID
STL542151
SMILES CSCC[C@@H](C(=O)Nc1ccc(cc1)NC(=O)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 C34H40N4O7S MW 648.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H40N4O7S/c1-19(39)35-22-8-10-23(11-9-22)37-34(42)28(15-16-46-6)38-27-14-12-24-25(18-29(27)41)26(36-20(2)40)13-7-21-17-30(43-3)32(44-4)33(45-5)31(21)24/h8-12,14,17-18,26,28H,7,13,15-16H2,1-6H3,(H,35,39)(H,36,40)(H,37,42)(H,38,41)/t26-,28-/m0/s1
InChIKey
DHTUKVIGVQMSBN-XCZPVHLTSA-N
Synonyms
1574353-45-9
(2~(S))~(N)(4acetamidophenyl)2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4acetamidophenyl)4(methylthio)butanamide
1574353459
75491074
CSCC(C@@H)(C(=O)Nc1ccc(cc1)NC(=O)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC34H40N4O7Sc119(39)352281023(11922)3734(42)28(1516466)382714122425(1829(27)41)26(3620(2)40)137211730(433)32(444)33(455)31(21)24h8121417182628H7131516H216H3(H3539)(H3640)(H3742)(H3841)t2628m0s1
N(4(acetylamino)phenyl)N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lmethioninamide
ZINC000150653003
ZINC150653003

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Available files

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