Vitas-M small molecule compound
2-ethoxy-4-{(E)-[2-({[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Catalog ID
STK566095
SMILES CCOc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(c(c2)OCC)[O-])[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 C27H27N5O4S MW 517.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O4S/c1-3-35-22-13-11-21(12-14-22)32-26(20-8-6-5-7-9-20)30-31-27(32)37-18-25(34)29-28-17-19-10-15-23(33)24(16-19)36-4-2/h5-17,33H,3-4,18H2,1-2H3,(H,29,34)/b28-17+InChIKey
PWVOUMIATVQKPC-OGLMXYFKSA-NSynonyms
488854-72-42ethoxy4((E)(2(((4(4ethoxyphenyl)5phenyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
CCOc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccc(c(c2)OCC)(O))(nH+)nc1c1ccccc1
MFCD03220366
ZINC000001474430
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