Vitas-M small molecule compound
4-({(E)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene}amino)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173362
SMILES CCOc1cc(ccc1OC(F)F)/C=N/n1c(S)nnc1c1cccs1
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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 C16H14F2N4O2S2 MW 396.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14F2N4O2S2/c1-2-23-12-8-10(5-6-11(12)24-15(17)18)9-19-22-14(20-21-16(22)25)13-4-3-7-26-13/h3-9,15H,2H2,1H3,(H,21,25)/b19-9+InChIKey
QLKGCNHEBBATTM-DJKKODMXSA-NSynonyms
866738-69-44(((E)(4(difluoromethoxy)3ethoxyphenyl)methylidene)amino)5(thiophen2yl)4H124triazole3thiol
4((E)(4(difluoromethoxy)3ethoxyphenyl)methylideneamino)3thiophen2yl1H124triazole5thione
866738694
CCOC1=C(C=CC(=C1)C=NN2C(=NNC2=S)C3=CC=CS3)OC(F)F
CCOc1cc(ccc1OC(F)F)C=Nn1c(S)nnc1c1cccs1
InChI=1SC16H14F2N4O2S2c122312810(5611(12)2415(17)18)9192214(202116(22)25)134372613h3915H2H21H3(H2125)b199+
MFCD06195995
ZINC000036611424
ZINC96569620
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