Vitas-M small molecule compound
2-{(E)-[2-({[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-6-ethoxyphenolate
Catalog ID
STK561807
SMILES CCOc1cccc(c1[O-])/C=N/NC(=O)CSc1[nH+]nc(n1c1ccc(cc1)Cl)c1ccc(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 C25H21Cl2N5O3S MW 542.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21Cl2N5O3S/c1-2-35-21-5-3-4-17(23(21)34)14-28-29-22(33)15-36-25-31-30-24(16-6-8-18(26)9-7-16)32(25)20-12-10-19(27)11-13-20/h3-14,34H,2,15H2,1H3,(H,29,33)/b28-14+InChIKey
IUPFULCNKZJKBM-CCVNUDIWSA-NSynonyms
487037-70-72((E)(2(((45bis(4chlorophenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)6ethoxyphenolate
487037707
CCOc1cccc(c1(O))C=NNC(=O)CSc1(nH+)nc(n1c1ccc(cc1)Cl)c1ccc(cc1)Cl
MFCD03287430
ZINC000002323835
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