Vitas-M small molecule compound
4-(2-ethylphenyl)-5-{4-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173937
SMILES CCc1ccccc1n1c(S)nnc1c1ccc(cc1)COc1c(F)c(F)cc(c1F)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 C23H17F4N3OS MW 459.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17F4N3OS/c1-2-14-5-3-4-6-18(14)30-22(28-29-23(30)32)15-9-7-13(8-10-15)12-31-21-19(26)16(24)11-17(25)20(21)27/h3-11H,2,12H2,1H3,(H,29,32)InChIKey
FDWCQXTVJYZSDL-UHFFFAOYSA-NSynonyms
828290-83-14(2ethylphenyl)3(4((2356tetrafluorophenoxy)methyl)phenyl)1H124triazole5thione
4(2ethylphenyl)5(4((2356tetrafluorophenoxy)methyl)phenyl)4H124triazole3thiol
828290831
CCC1=CC=CC=C1N2C(=NNC2=S)C3=CC=C(C=C3)COC4=C(C(=CC(=C4F)F)F)F
InChI=1SC23H17F4N3OSc1214534618(14)3022(282923(30)32)159713(81015)12312119(26)16(24)1117(25)20(21)27h311H212H21H3(H2932)
MFCD04130597
ZINC000002793311
ZINC2793311
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