Vitas-M small molecule compound
4-({(E)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173390
SMILES CCOc1cc(ccc1OC(F)F)/C=N/n1cnnc1S
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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/c1-2-19-10-5-8(3-4-9(10)20-11(13)14)6-16-18-7-15-17-12(18)21/h3-7,11H,2H2,1H3,(H,17,21)/b16-6+InChIKey
IVLKIDKVZMZZEF-OMCISZLKSA-NSynonyms
4(((E)(4(difluoromethoxy)3ethoxyphenyl)methylidene)amino)4H124triazole3thiol
4((E)(4(difluoromethoxy)3ethoxyphenyl)methylideneamino)1H124triazole5thione
CCOC1=C(C=CC(=C1)C=NN2C=NNC2=S)OC(F)F
CCOc1cc(ccc1OC(F)F)C=Nn1cnnc1S
InChI=1SC12H12F2N4O2Sc12191058(349(10)2011(13)14)616187151712(18)21h3711H2H21H3(H1721)b166+
MFCD06195360
ZINC000007012760
ZINC34881084
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