Vitas-M small molecule compound
2-{(1Z)-1-[2-({[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenolate
Catalog ID
STL046361
SMILES O=C(CSc1[nH+]nc(n1c1ccc(cc1)C)c1ccc(cc1)C)N/N=C(\c1ccccc1[O-])/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 C26H25N5O2S MW 471.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O2S/c1-17-8-12-20(13-9-17)25-29-30-26(31(25)21-14-10-18(2)11-15-21)34-16-24(33)28-27-19(3)22-6-4-5-7-23(22)32/h4-15,32H,16H2,1-3H3,(H,28,33)/b27-19-InChIKey
JMVDPUAIVCLFHL-DIBXZPPDSA-NSynonyms
488095-52-92((1Z)1(2(((45bis(4methylphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)ethyl)phenolate
488095529
MFCD03288244
O=C(CSc1(nH+)nc(n1c1ccc(cc1)C)c1ccc(cc1)C)NN=C(c1ccccc1(O))C
ZINC000100833996
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