Vitas-M small molecule compound
2-{(E)-[2-({[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-6-(prop-2-en-1-yl)phenolate
Catalog ID
STK559334
SMILES CCOc1ccc(cc1)n1c(SCC(=O)N/N=C/c2cccc(c2[O-])CC=C)[nH+]nc1c1ccccc1
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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/c1-3-9-20-12-8-13-22(26(20)35)18-29-30-25(34)19-37-28-32-31-27(21-10-6-5-7-11-21)33(28)23-14-16-24(17-15-23)36-4-2/h3,5-8,10-18,35H,1,4,9,19H2,2H3,(H,30,34)/b29-18+InChIKey
AQRXBVGOKGOOFK-RDRPBHBLSA-NSynonyms
351515-32-72((E)(2(((4(4ethoxyphenyl)5phenyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)6(prop2en1yl)phenolate
CCOc1ccc(cc1)n1c(SCC(=O)NN=Cc2cccc(c2(O))CC=C)(nH+)nc1c1ccccc1
MFCD01586205
ZINC000002356351
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