Vitas-M small molecule compound
4-[(E)-{[3-(4-chlorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]-2,6-dimethoxyphenyl acetate
Catalog ID
STK566062
SMILES COc1cc(/C=N/n2c(=S)[nH]nc2c2ccc(cc2)Cl)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 C19H17ClN4O4S MW 432.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN4O4S/c1-11(25)28-17-15(26-2)8-12(9-16(17)27-3)10-21-24-18(22-23-19(24)29)13-4-6-14(20)7-5-13/h4-10H,1-3H3,(H,23,29)/b21-10+InChIKey
BJKINJSFSHGXKF-UFFVCSGVSA-NSynonyms
380454-43-3(4((E)(3(4CHLOROPHENYL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)26DIMETHOXYPHENYL)ACETATE
380454433
4((E)((3(4chlorophenyl)5thioxo15dihydro4H124triazol4yl)imino)methyl)26dimethoxyphenylacetate
COc1cc(C=Nn2c(=S)(nH)nc2c2ccc(cc2)Cl)cc(c1OC(=O)C)OC
InChI=1SC19H17ClN4O4Sc111(25)281715(262)812(916(17)273)10212418(222319(24)29)134614(20)7513h410H13H3(H2329)b2110+
MFCD03802458
ZINC000001473724
ZINC9763002
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