Vitas-M small molecule compound
4-({(E)-[4-(difluoromethoxy)phenyl]methylidene}amino)-5-ethyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STL178764
SMILES CCc1nnc(n1/N=C/c1ccc(cc1)OC(F)F)S
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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 C12H12F2N4OS MW 298.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12F2N4OS/c1-2-10-16-17-12(20)18(10)15-7-8-3-5-9(6-4-8)19-11(13)14/h3-7,11H,2H2,1H3,(H,17,20)/b15-7+InChIKey
LXTMAKCEHLBHMS-VIZOYTHASA-NSynonyms
454239-93-14(((E)(4(difluoromethoxy)phenyl)methylidene)amino)5ethyl4H124triazole3thiol
4((E)(4(difluoromethoxy)phenyl)methylideneamino)3ethyl1H124triazole5thione
454239931
CCC1=NNC(=S)N1N=CC2=CC=C(C=C2)OC(F)F
CCc1nnc(n1N=Cc1ccc(cc1)OC(F)F)S
InChI=1SC12H12F2N4OSc1210161712(20)18(10)1578359(648)1911(13)14h3711H2H21H3(H1720)b157+
MFCD08552892
ZINC000008182980
ZINC38588480
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