Vitas-M small molecule compound
N-[(E)-{3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl}methylidene]-3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL177368
SMILES COc1ccc(cc1COc1cccc(c1Cl)Cl)/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/c1-28-14-7-6-11(9-24-27-18(17(22)23)25-26-19(27)30-2)8-12(14)10-29-15-5-3-4-13(20)16(15)21/h3-9,17H,10H2,1-2H3/b24-9+InChIKey
JAICVFVMJFIBDF-PGGKNCGUSA-NSynonyms
828282-16-2(E)1(3((23dichlorophenoxy)methyl)4methoxyphenyl)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)methanimine
828282162
COC1=C(C=C(C=C1)C=NN2C(=NN=C2SC)C(F)F)COC3=C(C(=CC=C3)Cl)Cl
COc1ccc(cc1COc1cccc(c1Cl)Cl)C=Nn1c(SC)nnc1C(F)F
InChI=1SC19H16Cl2F2N4O2Sc128147611(9242718(17(22)23)252619(27)302)812(14)10291553413(20)16(15)21h3917H10H212H3b249+
MFCD04053592
N((E)(3((23dichlorophenoxy)methyl)4methoxyphenyl)methylidene)3(difluoromethyl)5(methylsulfanyl)4H124triazol4amine
ZINC000002791444
ZINC2791443
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