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-[3-(2-methylpropyl)-1H-1,2,4-triazol-5-yl]isoleucinamide
Catalog ID
STL550045
SMILES CCC(C(C(=O)Nc1[nH]nc(n1)CC(C)C)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C33H44N6O6 MW 620.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H44N6O6/c1-9-18(4)29(32(42)37-33-36-27(38-39-33)14-17(2)3)35-24-13-11-21-22(16-25(24)41)23(34-19(5)40)12-10-20-15-26(43-6)30(44-7)31(45-8)28(20)21/h11,13,15-18,23,29H,9-10,12,14H2,1-8H3,(H,34,40)(H,35,41)(H2,36,37,38,39,42)InChIKey
VCRBQHVRKAKVTK-UHFFFAOYSA-NSynonyms
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5isobutyl1H124triazol3yl)3methylpentanamide
132286335
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(5(2methylpropyl)1~(H)124triazol3yl)pentanamide
CC(C@H)((C@@H)(C(=O)Nc1n(nH)c(n1)CC(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC33H44N6O6c1918(4)29(32(42)37333627(383933)1417(2)3)352413112122(1625(24)41)23(3419(5)40)1210201526(436)30(447)31(458)28(20)21h111315182329H9101214H218H3(H3440)(H3541)(H23637383942)
MFCD31757359
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(2methylpropyl)1H124triazol5yl)isoleucinamide
ZINC000888090362
ZINC000888090365
Check stock
See real-time availability and sample size for STL550045 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.