Vitas-M small molecule compound

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

Catalog ID
STK559233
SMILES CCOc1cc(/C=N/NC(=O)CSc2[nH+]nc(n2c2ccc(cc2)Cl)c2ccc(cc2)Cl)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 C25H21Cl2N5O3S MW 542.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21Cl2N5O3S/c1-2-35-22-13-16(3-12-21(22)33)14-28-29-23(34)15-36-25-31-30-24(17-4-6-18(26)7-5-17)32(25)20-10-8-19(27)9-11-20/h3-14,33H,2,15H2,1H3,(H,29,34)/b28-14+
InChIKey
SEFDOVNSSYYJOW-CCVNUDIWSA-N
Synonyms
488803-11-8
4((E)(2(((45bis(4chlorophenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)2ethoxyphenolate
488803118
CCOc1cc(C=NNC(=O)CSc2(nH+)nc(n2c2ccc(cc2)Cl)c2ccc(cc2)Cl)ccc1(O)
MFCD02729575
ZINC000002284292

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Available files

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