Vitas-M small molecule compound
2-{(1E)-1-[2-({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenolate
Catalog ID
STL148167
SMILES O=C(CSc1[nH+]nc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)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 C29H31N5O2S MW 513.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O2S/c1-19-10-16-23(17-11-19)34-27(21-12-14-22(15-13-21)29(3,4)5)32-33-28(34)37-18-26(36)31-30-20(2)24-8-6-7-9-25(24)35/h6-17,35H,18H2,1-5H3,(H,31,36)/b30-20+InChIKey
JHKCVNCRMAUBAN-TWKHWXDSSA-NSynonyms
488101-53-72((1E)1(2(((5(4tertbutylphenyl)4(4methylphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)ethyl)phenolate
488101537
MFCD03219900
O=C(CSc1(nH+)nc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)NN=C(c1ccccc1(O))C
ZINC000009015831
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