Vitas-M small molecule compound
2-{(E)-[2-({[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-6-ethoxyphenolate
Catalog ID
STK560746
SMILES CCOc1cccc(c1[O-])/C=N/NC(=O)CSc1[nH+]nc(n1c1ccc(cc1)C)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 C27H27N5O3S MW 501.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O3S/c1-4-35-23-7-5-6-21(25(23)34)16-28-29-24(33)17-36-27-31-30-26(20-12-8-18(2)9-13-20)32(27)22-14-10-19(3)11-15-22/h5-16,34H,4,17H2,1-3H3,(H,29,33)/b28-16+InChIKey
PBSKCVVSQAWCBT-LQKURTRISA-NSynonyms
497242-24-72((E)(2(((45bis(4methylphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)6ethoxyphenolate
CCOc1cccc(c1(O))C=NNC(=O)CSc1(nH+)nc(n1c1ccc(cc1)C)c1ccc(cc1)C
MFCD03091550
ZINC000002340989
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