Vitas-M small molecule compound
2-methoxy-4-[(E)-{[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenyl acetate
Catalog ID
STK562019
SMILES COc1cc(ccc1OC(=O)C)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)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)27-16-9-4-13(10-17(16)26-3)11-20-23-18(21-22-19(23)28)14-5-7-15(25-2)8-6-14/h4-11H,1-3H3,(H,22,28)/b20-11+InChIKey
JFEUSTQUTYARSO-RGVLZGJSSA-NSynonyms
497083-01-9(2METHOXY4((E)(3(4METHOXYPHENYL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)PHENYL)ACETATE
2methoxy4((E)((3(4methoxyphenyl)5thioxo15dihydro4H124triazol4yl)imino)methyl)phenylacetate
497083019
COc1cc(ccc1OC(=O)C)C=Nn1c(=S)(nH)nc1c1ccc(cc1)OC
InChI=1SC19H18N4O4Sc112(24)27169413(1017(16)263)11202318(212219(23)28)145715(252)8614h411H13H3(H2228)b2011+
MFCD03799490
ZINC000001473615
ZINC04680234
ZINC4680234
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