Vitas-M small molecule compound
2,6-dimethoxy-4-{(E)-[(3-phenyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenyl acetate
Catalog ID
STL150049
SMILES COc1cc(/C=N/n2c(=S)[nH]nc2c2ccccc2)cc(c1OC(=O)C)OC
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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 C19H18N4O4S MW 398.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O4S/c1-12(24)27-17-15(25-2)9-13(10-16(17)26-3)11-20-23-18(21-22-19(23)28)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,22,28)/b20-11+InChIKey
KNWGYKQWHSVXAE-RGVLZGJSSA-NSynonyms
430448-89-8(26DIMETHOXY4((E)(3PHENYL5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)PHENYL)ACETATE
26dimethoxy4((E)((3phenyl5thioxo15dihydro4H124triazol4yl)imino)methyl)phenylacetate
430448898
InChI=1SC19H18N4O4Sc112(24)271715(252)913(1016(17)263)11202318(212219(23)28)147546814h411H13H3(H2228)b2011+
MFCD03813796
ZINC000001251350
ZINC01251349
ZINC1251349
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