Vitas-M small molecule compound
N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(hydroxymethyl)-1H-benzimidazol-6-yl]methioninamide
Catalog ID
STL546881
SMILES CSCCC(C(=O)Nc1ccc2c(c1)[nH]c(n2)CO)Nc1ccc2c(cc1=O)C(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 C34H39N5O7S MW 661.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H39N5O7S/c1-18(41)35-23-9-6-19-14-29(44-2)32(45-3)33(46-4)31(19)21-8-11-25(28(42)16-22(21)23)37-26(12-13-47-5)34(43)36-20-7-10-24-27(15-20)39-30(17-40)38-24/h7-8,10-11,14-16,23,26,40H,6,9,12-13,17H2,1-5H3,(H,35,41)(H,36,43)(H,37,42)(H,38,39)InChIKey
DAIMFZWEFFKAGY-UHFFFAOYSA-NSynonyms
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(hydroxymethyl)1Hbenzo(d)imidazol5yl)4(methylthio)butanamide
122169720
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(hydroxymethyl)3~(H)benzimidazol5yl)4methylsulfanylbutanamide
CSCC(C@@H)(C(=O)Nc1ccc2c(c1)nc((nH)2)CO)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC34H39N5O7Sc118(41)352396191429(442)32(453)33(464)31(19)2181125(28(42)1622(21)23)3726(1213475)34(43)36207102427(1520)3930(1740)3824h7810111416232640H69121317H215H3(H3541)(H3643)(H3742)(H3839)
MFCD31756473
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(hydroxymethyl)1Hbenzimidazol6yl)methioninamide
ZINC000263585005
ZINC000409413623
Check stock
See real-time availability and sample size for STL546881 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.