Vitas-M small molecule compound

4-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-ethoxyphenolate

Catalog ID
STK559834
SMILES CCOc1cc(/C=N/NC(=O)CSc2[nH+]nc(n2c2ccc(cc2)Cl)c2ccc(cc2)C)ccc1[O-]

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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 C26H24ClN5O3S MW 522.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN5O3S/c1-3-35-23-14-18(6-13-22(23)33)15-28-29-24(34)16-36-26-31-30-25(19-7-4-17(2)5-8-19)32(26)21-11-9-20(27)10-12-21/h4-15,33H,3,16H2,1-2H3,(H,29,34)/b28-15+
InChIKey
IIZAQXUQPMSTDY-RWPZCVJISA-N
Synonyms
497950-49-9
4((E)(2(((4(4chlorophenyl)5(4methylphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)2ethoxyphenolate
CCOc1cc(C=NNC(=O)CSc2(nH+)nc(n2c2ccc(cc2)Cl)c2ccc(cc2)C)ccc1(O)
MFCD03220181
ZINC000002351139

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Available files

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