Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-2-{[1-{2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}-3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetamide
Catalog ID
STK677718
SMILES O=C(Nc1ccc(cc1C)C)CSc1nc(nn1CC(=O)Nc1ccc(cc1C)C)c1ccc(cc1)[N+](=O)[O-]
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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 C28H28N6O4S MW 544.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N6O4S/c1-17-5-11-23(19(3)13-17)29-25(35)15-33-28(31-27(32-33)21-7-9-22(10-8-21)34(37)38)39-16-26(36)30-24-12-6-18(2)14-20(24)4/h5-14H,15-16H2,1-4H3,(H,29,35)(H,30,36)InChIKey
PTKTZATXRLYNKC-UHFFFAOYSA-NSynonyms
2(5(2(24DIMETHYLANILINO)2OXOETHYL)SULFANYL3(4NITROPHENYL)124TRIAZOL1YL)N(24DIMETHYLPHENYL)ACETAMIDE
CC1=CC(=C(C=C1)NC(=O)CN2C(=NC(=N2)C3=CC=C(C=C3)(N+)(=O)(O))SCC(=O)NC4=C(C=C(C=C4)C)C)C
InChI=1SC28H28N6O4Sc11751123(19(3)1317)2925(35)153328(3127(3233)217922(10821)34(37)38)391626(36)302412618(2)1420(24)4h514H1516H214H3(H2935)(H3036)
MFCD03185143
N(24dimethylphenyl)2((1(2((24dimethylphenyl)amino)2oxoethyl)3(4nitrophenyl)1H124triazol5yl)sulfanyl)acetamide
N(24DIMETHYLPHENYL)2(5((N(24DIMETHYLPHENYL)CARBAMOYL)METHYLTHIO)3(4NITROPHENYL)(124TRIAZOLYL))ACETAMIDE
O=C(Nc1ccc(cc1C)C)CSc1nc(nn1CC(=O)Nc1ccc(cc1C)C)c1ccc(cc1)(N+)(=O)(O)
ZINC000003616463
ZINC3616463
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.