Vitas-M small molecule compound
4-[(E)-{[3-(3,4-dimethoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]-2,6-dimethoxyphenyl acetate
Catalog ID
STL037962
SMILES COc1cc(/C=N/n2c(=S)[nH]nc2c2ccc(c(c2)OC)OC)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 C21H22N4O6S MW 458.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O6S/c1-12(26)31-19-17(29-4)8-13(9-18(19)30-5)11-22-25-20(23-24-21(25)32)14-6-7-15(27-2)16(10-14)28-3/h6-11H,1-5H3,(H,24,32)/b22-11+InChIKey
SFHQUMUTAHVADT-SSDVNMTOSA-NSynonyms
500274-99-7500274997
COc1cc(C=Nn2c(=S)(nH)nc2c2ccc(c(c2)OC)OC)cc(c1OC(=O)C)OC
MFCD03812004
ZINC000001475980
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