Vitas-M small molecule compound
2-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-6-methoxyphenolate
Catalog ID
STL047005
SMILES COc1cccc(c1[O-])/C=N/NC(=O)CSc1[nH+]nc(n1c1ccc(cc1)Cl)c1ccc(cc1)C
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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 C25H22ClN5O3S MW 508.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN5O3S/c1-16-6-8-17(9-7-16)24-29-30-25(31(24)20-12-10-19(26)11-13-20)35-15-22(32)28-27-14-18-4-3-5-21(34-2)23(18)33/h3-14,33H,15H2,1-2H3,(H,28,32)/b27-14+InChIKey
KNVAQZNKAZATQP-MZJWZYIUSA-NSynonyms
488745-36-42((E)(2(((4(4chlorophenyl)5(4methylphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)6methoxyphenolate
488745364
COc1cccc(c1(O))C=NNC(=O)CSc1(nH+)nc(n1c1ccc(cc1)Cl)c1ccc(cc1)C
MFCD03220237
ZINC000002340211
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