Vitas-M small molecule compound
3-(difluoromethyl)-N-[(E)-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)methylidene]-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL177625
SMILES COc1ccc(cc1COc1cccc(c1)C(F)(F)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 C20H17F5N4O2S MW 472.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17F5N4O2S/c1-30-16-7-6-12(10-26-29-18(17(21)22)27-28-19(29)32-2)8-13(16)11-31-15-5-3-4-14(9-15)20(23,24)25/h3-10,17H,11H2,1-2H3/b26-10+InChIKey
PWKGPZCVZLUILR-NSKAYECMSA-NSynonyms
828280-73-5(E)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)1(4methoxy3((3(trifluoromethyl)phenoxy)methyl)phenyl)methanimine
3(difluoromethyl)N((E)(4methoxy3((3(trifluoromethyl)phenoxy)methyl)phenyl)methylidene)5(methylsulfanyl)4H124triazol4amine
828280735
COC1=C(C=C(C=C1)C=NN2C(=NN=C2SC)C(F)F)COC3=CC=CC(=C3)C(F)(F)F
COc1ccc(cc1COc1cccc(c1)C(F)(F)F)C=Nn1c(SC)nnc1C(F)F
InChI=1SC20H17F5N4O2Sc130167612(10262918(17(21)22)272819(29)322)813(16)11311553414(915)20(2324)25h31017H11H212H3b2610+
MFCD04053750
ZINC000002791059
ZINC2791058
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