Vitas-M small molecule compound
N-[(E)-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}methylidene]-3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL177367
SMILES COc1ccc(cc1COc1ccc(c(c1)Cl)F)/C=N/n1c(SC)nnc1C(F)F
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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 C19H16ClF3N4O2S MW 456.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClF3N4O2S/c1-28-16-6-3-11(9-24-27-18(17(22)23)25-26-19(27)30-2)7-12(16)10-29-13-4-5-15(21)14(20)8-13/h3-9,17H,10H2,1-2H3/b24-9+InChIKey
XEUBYGVIKDXSMA-PGGKNCGUSA-NSynonyms
828280-70-2(E)1(3((3chloro4fluorophenoxy)methyl)4methoxyphenyl)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)methanimine
828280702
COC1=C(C=C(C=C1)C=NN2C(=NN=C2SC)C(F)F)COC3=CC(=C(C=C3)F)Cl
COc1ccc(cc1COc1ccc(c(c1)Cl)F)C=Nn1c(SC)nnc1C(F)F
InChI=1SC19H16ClF3N4O2Sc128166311(9242718(17(22)23)252619(27)302)712(16)1029134515(21)14(20)813h3917H10H212H3b249+
MFCD04053591
N((E)(3((3chloro4fluorophenoxy)methyl)4methoxyphenyl)methylidene)3(difluoromethyl)5(methylsulfanyl)4H124triazol4amine
ZINC000002791053
ZINC2791052
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