Vitas-M small molecule compound
4-({(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}amino)-5-methyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173768
SMILES COc1cc(ccc1OC(F)F)/C=N/n1c(C)nnc1S
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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 C12H12F2N4O2S MW 314.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12F2N4O2S/c1-7-16-17-12(21)18(7)15-6-8-3-4-9(20-11(13)14)10(5-8)19-2/h3-6,11H,1-2H3,(H,17,21)/b15-6+InChIKey
VVAODXVJJISXQM-GIDUJCDVSA-NSynonyms
4(((E)(4(difluoromethoxy)3methoxyphenyl)methylidene)amino)5methyl4H124triazole3thiol
4((E)(4(difluoromethoxy)3methoxyphenyl)methylideneamino)3methyl1H124triazole5thione
CC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OC(F)F)OC
COc1cc(ccc1OC(F)F)C=Nn1c(C)nnc1S
InChI=1SC12H12F2N4O2Sc17161712(21)18(7)1568349(2011(13)14)10(58)192h3611H12H3(H1721)b156+
MFCD04047803
ZINC000008511545
ZINC33523069
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