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}-6-methoxyphenolate
Catalog ID
STL038285
SMILES CCOc1ccc(cc1)n1c(SCC(=O)N/N=C/c2cccc(c2[O-])OC)[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 C26H25N5O4S MW 503.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O4S/c1-3-35-21-14-12-20(13-15-21)31-25(18-8-5-4-6-9-18)29-30-26(31)36-17-23(32)28-27-16-19-10-7-11-22(34-2)24(19)33/h4-16,33H,3,17H2,1-2H3,(H,28,32)/b27-16+InChIKey
YHUHQXITOQJAHB-JVWAILMASA-NSynonyms
351516-13-72((E)(2(((4(4ethoxyphenyl)5phenyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)6methoxyphenolate
351516137
CCOc1ccc(cc1)n1c(SCC(=O)NN=Cc2cccc(c2(O))OC)(nH+)nc1c1ccccc1
MFCD01586241
ZINC000001474450
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