Vitas-M small molecule compound
2,6-dimethoxy-4-{(E)-[2-({[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Catalog ID
STL149921
SMILES COc1cc(/C=N/NC(=O)CSc2[nH+]nc(n2c2ccc(cc2)C)c2ccccc2)cc(c1[O-])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 C26H25N5O4S MW 503.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O4S/c1-17-9-11-20(12-10-17)31-25(19-7-5-4-6-8-19)29-30-26(31)36-16-23(32)28-27-15-18-13-21(34-2)24(33)22(14-18)35-3/h4-15,33H,16H2,1-3H3,(H,28,32)/b27-15+InChIKey
ZUDCOKQEWCYNPF-JFLMPSFJSA-NSynonyms
315230-68-326dimethoxy4((E)(2(((4(4methylphenyl)5phenyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
315230683
COc1cc(C=NNC(=O)CSc2(nH+)nc(n2c2ccc(cc2)C)c2ccccc2)cc(c1(O))OC
MFCD02077375
ZINC000002357620
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