Vitas-M small molecule compound
1-{(E)-(4-methylphenyl)[(trichloroethenyl)imino]methyl}-3-(trifluoromethyl)-1H-1,2,4-triazol-5-amine
Catalog ID
STL217501
SMILES ClC(=C(Cl)Cl)/N=C(/n1nc(nc1N)C(F)(F)F)\c1ccc(cc1)C
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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 C13H9Cl3F3N5 MW 398.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9Cl3F3N5/c1-6-2-4-7(5-3-6)10(21-9(16)8(14)15)24-12(20)22-11(23-24)13(17,18)19/h2-5H,1H3,(H2,20,22,23)/b21-10+InChIKey
ZXHIJOCKMGJZHY-UFFVCSGVSA-NSynonyms
1((E)(4methylphenyl)((trichloroethenyl)imino)methyl)3(trifluoromethyl)1H124triazol5amine
2((E)C(4methylphenyl)N(122trichloroethenyl)carbonimidoyl)5(trifluoromethyl)124triazol3amine
CC1=CC=C(C=C1)C(=NC(=C(Cl)Cl)Cl)N2C(=NC(=N2)C(F)(F)F)N
ClC(=C(Cl)Cl)N=C(n1nc(nc1N)C(F)(F)F)c1ccc(cc1)C
InChI=1SC13H9Cl3F3N5c16247(536)10(219(16)8(14)15)2412(20)2211(2324)13(1718)19h25H1H3(H2202223)b2110+
MFCD18080759
ZINC000041097486
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