Vitas-M small molecule compound
4-(butan-2-yl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK306805
SMILES CCC(n1c(S)nnc1c1cccc(c1)OC(C(F)F)(F)F)C
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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 C14H15F4N3OS MW 349.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15F4N3OS/c1-3-8(2)21-11(19-20-13(21)23)9-5-4-6-10(7-9)22-14(17,18)12(15)16/h4-8,12H,3H2,1-2H3,(H,20,23)InChIKey
PIDCMGPDJDTSSJ-UHFFFAOYSA-NSynonyms
828285-04-74(butan2yl)5(3(1122tetrafluoroethoxy)phenyl)4H124triazole3thiol
4butan2yl3(3(1122tetrafluoroethoxy)phenyl)1H124triazole5thione
828285047
CCC(C)N1C(=NNC1=S)C2=CC(=CC=C2)OC(C(F)F)(F)F
InChI=1SC14H15F4N3OSc138(2)2111(192013(21)23)954610(79)2214(1718)12(15)16h4812H3H212H3(H2023)
MFCD04053730
ZINC000002791918
ZINC000002791919
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