Vitas-M small molecule compound
1-(2,4-dichlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK807065
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2Cl)Cl)nnc1c1ccncc1
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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 C22H16Cl2N4O2S MW 471.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16Cl2N4O2S/c1-30-17-5-3-16(4-6-17)28-21(14-8-10-25-11-9-14)26-27-22(28)31-13-20(29)18-7-2-15(23)12-19(18)24/h2-12H,13H2,1H3InChIKey
NKERAQQTNQDBTE-UHFFFAOYSA-NSynonyms
1(24dichlorophenyl)2((4(4methoxyphenyl)5(pyridin4yl)4H124triazol3yl)sulfanyl)ethanone
1(24DICHLOROPHENYL)2((4(4METHOXYPHENYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)ETHANONE
1(24DICHLOROPHENYL)2(4(4METHOXYPHENYL)5(4PYRIDYL)(124TRIAZOL3YLTHIO))ETHAN1ONE
COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=C(C=C(C=C3)Cl)Cl)C4=CC=NC=C4
InChI=1SC22H16Cl2N4O2Sc130175316(4617)2821(148102511914)262722(28)311320(29)187215(23)1219(18)24h212H13H21H3
MFCD03621169
ZINC000001468052
ZINC01468052
ZINC1468052
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