Vitas-M small molecule compound
2,6-dimethoxy-4-{[(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenyl acetate
Catalog ID
STK106385
SMILES COc1cc(/C=N\n2c(S)nnc2c2ccccc2)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)InChIKey
KNWGYKQWHSVXAE-UHFFFAOYSA-NSynonyms
(26DIMETHOXY4((3PHENYL5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)PHENYL)ACETATE
(E)4(((3mercapto5phenyl4H124triazol4yl)imino)methyl)26dimethoxyphenylacetate
26DIMETHOXY4(((3PHENYL5SULFANYL4H124TRIAZOL4YL)IMINO)METHYL)PHENYLACETATE
26DIMETHOXY4(((3PHENYL5THIOXO15DIHYDRO4H124TRIAZOL4YL)IMINO)METHYL)PHENYLACETATE
4((1Z)2(5PHENYL3SULFANYL(124TRIAZOL4YL))2AZAVINYL)26DIMETHOXYPHENYLACETATE
CC(=O)OC1=C(C=C(C=C1OC)C=NN2C(=NNC2=S)C3=CC=CC=C3)OC
InChI=1SC19H18N4O4Sc112(24)271715(252)913(1016(17)263)11202318(212219(23)28)147546814h411H13H3(H2228)
MFCD02923806
ZINC000001251349
ZINC000252429396
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