Vitas-M small molecule compound
4-[3-(diethylamino)propyl]-5-{4-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173947
SMILES CCN(CCCn1c(S)nnc1c1ccc(cc1)COc1c(F)c(F)cc(c1F)F)CC
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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 C22H24F4N4OS MW 468.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24F4N4OS/c1-3-29(4-2)10-5-11-30-21(27-28-22(30)32)15-8-6-14(7-9-15)13-31-20-18(25)16(23)12-17(24)19(20)26/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,28,32)InChIKey
GFHYHYBYOJJLIY-UHFFFAOYSA-NSynonyms
4(3(diethylamino)propyl)3(4((2356tetrafluorophenoxy)methyl)phenyl)1H124triazole5thione
4(3(diethylamino)propyl)5(4((2356tetrafluorophenoxy)methyl)phenyl)4H124triazole3thiol
CCN(CC)CCCN1C(=NNC1=S)C2=CC=C(C=C2)COC3=C(C(=CC(=C3F)F)F)F
InChI=1SC22H24F4N4OSc1329(42)105113021(272822(30)32)158614(7915)13312018(25)16(23)1217(24)19(20)26h6912H35101113H212H3(H2832)
MFCD04130405
ZINC000002792485
ZINC2792485
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