Vitas-M small molecule compound
4-{(E)-[2-({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Catalog ID
STL047720
SMILES O=C(CSc1[nH+]nc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)N/N=C/c1ccc(cc1)[O-]
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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 C28H29N5O2S MW 499.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O2S/c1-19-5-13-23(14-6-19)33-26(21-9-11-22(12-10-21)28(2,3)4)31-32-27(33)36-18-25(35)30-29-17-20-7-15-24(34)16-8-20/h5-17,34H,18H2,1-4H3,(H,30,35)/b29-17+InChIKey
FXVPYPOEZDGVKI-STBIYBPSSA-NSynonyms
488796-64-14((E)(2(((5(4tertbutylphenyl)4(4methylphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
488796641
MFCD03292887
O=C(CSc1(nH+)nc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)NN=Cc1ccc(cc1)(O)
ZINC000002342579
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