Vitas-M small molecule compound
N-[(E)-{3-[(2,6-dichlorophenoxy)methyl]-4-methoxyphenyl}methylidene]-3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL176614
SMILES COc1ccc(cc1COc1c(Cl)cccc1Cl)/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 C19H16Cl2F2N4O2S MW 473.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16Cl2F2N4O2S/c1-28-15-7-6-11(9-24-27-18(17(22)23)25-26-19(27)30-2)8-12(15)10-29-16-13(20)4-3-5-14(16)21/h3-9,17H,10H2,1-2H3/b24-9+InChIKey
MHWOVQBDBACQJB-PGGKNCGUSA-NSynonyms
828283-60-9(E)1(3((26dichlorophenoxy)methyl)4methoxyphenyl)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)methanimine
828283609
COC1=C(C=C(C=C1)C=NN2C(=NN=C2SC)C(F)F)COC3=C(C=CC=C3Cl)Cl
COc1ccc(cc1COc1c(Cl)cccc1Cl)C=Nn1c(SC)nnc1C(F)F
InChI=1SC19H16Cl2F2N4O2Sc128157611(9242718(17(22)23)252619(27)302)812(15)10291613(20)43514(16)21h3917H10H212H3b249+
MFCD04049728
N((E)(3((26dichlorophenoxy)methyl)4methoxyphenyl)methylidene)3(difluoromethyl)5(methylsulfanyl)4H124triazol4amine
ZINC000002791590
ZINC2791589
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