Vitas-M small molecule compound
5-(difluoromethyl)-4-{[(E)-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173809
SMILES COc1ccc(cc1COc1cccc(c1)C(F)(F)F)/C=N/n1c(S)nnc1C(F)F
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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 C19H15F5N4O2S MW 458.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15F5N4O2S/c1-29-15-6-5-11(9-25-28-17(16(20)21)26-27-18(28)31)7-12(15)10-30-14-4-2-3-13(8-14)19(22,23)24/h2-9,16H,10H2,1H3,(H,27,31)/b25-9+InChIKey
CKBQEZIHYAYFMO-YCPBAFNGSA-NSynonyms
828282-45-73(difluoromethyl)4((E)(4methoxy3((3(trifluoromethyl)phenoxy)methyl)phenyl)methylideneamino)1H124triazole5thione
5(difluoromethyl)4(((E)(4methoxy3((3(trifluoromethyl)phenoxy)methyl)phenyl)methylidene)amino)4H124triazole3thiol
COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C(F)F)COC3=CC=CC(=C3)C(F)(F)F
COc1ccc(cc1COc1cccc(c1)C(F)(F)F)C=Nn1c(S)nnc1C(F)F
Registry IDs
MFCD04047900ZINC000002791518
ZINC2791517
Check stock
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