Vitas-M small molecule compound
2-{(E)-[2-({[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-6-(prop-2-en-1-yl)phenolate
Catalog ID
STK564211
SMILES C=CCc1cccc(c1[O-])/C=N/NC(=O)CSc1[nH+]nc(n1c1ccc(cc1)C)c1ccccc1
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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 C27H25N5O2S MW 483.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O2S/c1-3-8-20-11-7-12-22(25(20)34)17-28-29-24(33)18-35-27-31-30-26(21-9-5-4-6-10-21)32(27)23-15-13-19(2)14-16-23/h3-7,9-17,34H,1,8,18H2,2H3,(H,29,33)/b28-17+InChIKey
KVYKMJZPPQWNHK-OGLMXYFKSA-NSynonyms
314071-98-22((E)(2(((4(4methylphenyl)5phenyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)6(prop2en1yl)phenolate
314071982
C=CCc1cccc(c1(O))C=NNC(=O)CSc1(nH+)nc(n1c1ccc(cc1)C)c1ccccc1
MFCD01910512
ZINC000002266178
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