Vitas-M small molecule compound
2-{(E)-[2-({[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Catalog ID
STL147570
SMILES CCOc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccccc2[O-])[nH+]nc1c1ccc(cc1)Cl
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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 C25H22ClN5O3S MW 508.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN5O3S/c1-2-34-21-13-11-20(12-14-21)31-24(17-7-9-19(26)10-8-17)29-30-25(31)35-16-23(33)28-27-15-18-5-3-4-6-22(18)32/h3-15,32H,2,16H2,1H3,(H,28,33)/b27-15+InChIKey
FIIHQFDPSUKSFN-JFLMPSFJSA-NSynonyms
488826-03-52((E)(2(((5(4chlorophenyl)4(4ethoxyphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
488826035
CCOc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccccc2(O))(nH+)nc1c1ccc(cc1)Cl
MFCD01586336
ZINC000002372617
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