Vitas-M small molecule compound
2,6-dimethoxy-4-[(E)-{[3-(4-methylphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenyl acetate
Catalog ID
STL149090
SMILES COc1cc(/C=N/n2c(=S)[nH]nc2c2ccc(cc2)C)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 C20H20N4O4S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O4S/c1-12-5-7-15(8-6-12)19-22-23-20(29)24(19)21-11-14-9-16(26-3)18(28-13(2)25)17(10-14)27-4/h5-11H,1-4H3,(H,23,29)/b21-11+InChIKey
NRJWKPUCUCEQGC-SRZZPIQSSA-NSynonyms
497083-75-7(26DIMETHOXY4((E)(3(4METHYLPHENYL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)PHENYL)ACETATE
26dimethoxy4((E)((3(4methylphenyl)5thioxo15dihydro4H124triazol4yl)imino)methyl)phenylacetate
497083757
COc1cc(C=Nn2c(=S)(nH)nc2c2ccc(cc2)C)cc(c1OC(=O)C)OC
InChI=1SC20H20N4O4Sc1125715(8612)19222320(29)24(19)211114916(263)18(2813(2)25)17(1014)274h511H14H3(H2329)b2111+
MFCD03800174
ZINC000001473689
ZINC06032844
ZINC6032844
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