Vitas-M small molecule compound
4-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK593282
SMILES Cc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1c(F)cccc1Cl
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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 C16H12ClFN4S MW 346.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClFN4S/c1-10-5-7-11(8-6-10)15-20-21-16(23)22(15)19-9-12-13(17)3-2-4-14(12)18/h2-9H,1H3,(H,21,23)/b19-9+InChIKey
HTRBKRCUQHNRDR-DJKKODMXSA-NSynonyms
489416-01-54(((E)(2chloro6fluorophenyl)methylidene)amino)5(4methylphenyl)24dihydro3H124triazole3thione
4((E)(2chloro6fluorophenyl)methylideneamino)3(4methylphenyl)1H124triazole5thione
489416015
CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=C(C=CC=C3Cl)F
Cc1ccc(cc1)c1n(nH)c(=S)n1N=Cc1c(F)cccc1Cl
InChI=1SC16H12ClFN4Sc1105711(8610)15202116(23)22(15)1991213(17)32414(12)18h29H1H3(H2123)b199+
MFCD07207903
ZINC000005968886
ZINC6032839
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