Vitas-M small molecule compound
N-{(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}-3-(ethylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-amine
Catalog ID
STL173345
SMILES CCSc1nnc(n1/N=C/c1ccc(c(c1)OC)OC(F)F)C
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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 C14H16F2N4O2S MW 342.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16F2N4O2S/c1-4-23-14-19-18-9(2)20(14)17-8-10-5-6-11(22-13(15)16)12(7-10)21-3/h5-8,13H,4H2,1-3H3/b17-8+InChIKey
LYIXMLHJJSSIPX-CAOOACKPSA-NSynonyms
866742-60-1(E)1(4(difluoromethoxy)3methoxyphenyl)N(3ethylsulfanyl5methyl124triazol4yl)methanimine
866742601
CCSC1=NN=C(N1N=CC2=CC(=C(C=C2)OC(F)F)OC)C
CCSc1nnc(n1N=Cc1ccc(c(c1)OC)OC(F)F)C
InChI=1SC14H16F2N4O2Sc14231419189(2)20(14)178105611(2213(15)16)12(710)213h5813H4H213H3b178+
MFCD06196082
N((E)(4(difluoromethoxy)3methoxyphenyl)methylidene)3(ethylsulfanyl)5methyl4H124triazol4amine
ZINC000036611486
ZINC96569288
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