Vitas-M small molecule compound
N-{(E)-[4-(difluoromethoxy)phenyl]methylidene}-3-(ethylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL173281
SMILES CCSc1nnc(n1/N=C/c1ccc(cc1)OC(F)F)C(F)(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 C13H11F5N4OS MW 366.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11F5N4OS/c1-2-24-12-21-20-10(13(16,17)18)22(12)19-7-8-3-5-9(6-4-8)23-11(14)15/h3-7,11H,2H2,1H3/b19-7+InChIKey
XONDFVPMOGLSIF-FBCYGCLPSA-NSynonyms
866738-36-5(E)1(4(difluoromethoxy)phenyl)N(3ethylsulfanyl5(trifluoromethyl)124triazol4yl)methanimine
866738365
CCSC1=NN=C(N1N=CC2=CC=C(C=C2)OC(F)F)C(F)(F)F
CCSc1nnc(n1N=Cc1ccc(cc1)OC(F)F)C(F)(F)F
InChI=1SC13H11F5N4OSc122412212010(13(1617)18)22(12)1978359(648)2311(14)15h3711H2H21H3b197+
MFCD06195980
N((E)(4(difluoromethoxy)phenyl)methylidene)3(ethylsulfanyl)5(trifluoromethyl)4H124triazol4amine
ZINC000036611411
ZINC96569427
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