Vitas-M small molecule compound
(2-{(E)-[2-({[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenoxy)acetate
Catalog ID
STL044399
SMILES CCOc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccccc2OCC(=O)[O-])[nH+]nc1c1ccccc1
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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 C27H25N5O5S MW 531.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O5S/c1-2-36-22-14-12-21(13-15-22)32-26(19-8-4-3-5-9-19)30-31-27(32)38-18-24(33)29-28-16-20-10-6-7-11-23(20)37-17-25(34)35/h3-16H,2,17-18H2,1H3,(H,29,33)(H,34,35)/b28-16+InChIKey
OCFYGACORGYIGZ-LQKURTRISA-NSynonyms
489415-35-2(2((E)(2(((4(4ethoxyphenyl)5phenyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenoxy)acetate
489415352
CCOc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccccc2OCC(=O)(O))(nH+)nc1c1ccccc1
MFCD03220373
ZINC000100853482
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