Vitas-M small molecule compound
2-{(E)-[2-({[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-6-(prop-2-en-1-yl)phenolate
Catalog ID
STL148957
SMILES C=CCc1cccc(c1[O-])/C=N/NC(=O)CSc1[nH+]nc(n1c1ccc(cc1)C)c1ccc(cc1)OC
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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 C28H27N5O3S MW 513.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O3S/c1-4-6-20-7-5-8-22(26(20)35)17-29-30-25(34)18-37-28-32-31-27(21-11-15-24(36-3)16-12-21)33(28)23-13-9-19(2)10-14-23/h4-5,7-17,35H,1,6,18H2,2-3H3,(H,30,34)/b29-17+InChIKey
QJBAFYYGKZFOSL-STBIYBPSSA-NSynonyms
496772-84-02((E)(2(((5(4methoxyphenyl)4(4methylphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)6(prop2en1yl)phenolate
496772840
C=CCc1cccc(c1(O))C=NNC(=O)CSc1(nH+)nc(n1c1ccc(cc1)C)c1ccc(cc1)OC
MFCD03220430
ZINC000002297264
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