Vitas-M small molecule compound
3-(difluoromethyl)-N-[(E)-{3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl}methylidene]-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL176617
SMILES CCc1ccc(cc1)OCc1cc(ccc1OC)/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 C21H22F2N4O2S MW 432.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F2N4O2S/c1-4-14-5-8-17(9-6-14)29-13-16-11-15(7-10-18(16)28-2)12-24-27-20(19(22)23)25-26-21(27)30-3/h5-12,19H,4,13H2,1-3H3/b24-12+InChIKey
WICAQRYTBKCPEP-WYMPLXKRSA-NSynonyms
(E)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)1(3((4ethylphenoxy)methyl)4methoxyphenyl)methanimine
3(difluoromethyl)N((E)(3((4ethylphenoxy)methyl)4methoxyphenyl)methylidene)5(methylsulfanyl)4H124triazol4amine
CCC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C=NN3C(=NN=C3SC)C(F)F)OC
CCc1ccc(cc1)OCc1cc(ccc1OC)C=Nn1c(SC)nnc1C(F)F
InChI=1SC21H22F2N4O2Sc14145817(9614)2913161115(71018(16)282)12242720(19(22)23)252621(27)303h51219H413H213H3b2412+
MFCD04049733
ZINC000002791843
ZINC2791842
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