Vitas-M small molecule compound
2-{(1Z)-1-[2-({[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenolate
Catalog ID
STL045948
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C(\c2ccccc2[O-])/C)[nH+]nc1c1ccc(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 C26H25N5O3S MW 487.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O3S/c1-17-8-10-19(11-9-17)25-29-30-26(31(25)20-12-14-21(34-3)15-13-20)35-16-24(33)28-27-18(2)22-6-4-5-7-23(22)32/h4-15,32H,16H2,1-3H3,(H,28,33)/b27-18-InChIKey
KYZYJTZZYIZGGQ-IMRQLAEWSA-NSynonyms
406465-88-12((1Z)1(2(((4(4methoxyphenyl)5(4methylphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)ethyl)phenolate
406465881
COc1ccc(cc1)n1c(SCC(=O)NN=C(c2ccccc2(O))C)(nH+)nc1c1ccc(cc1)C
MFCD03297748
ZINC000100871218
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