Vitas-M small molecule compound

4-(2-methylpropyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol

Catalog ID
STK306945
SMILES CC(Cn1c(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/c1-8(2)7-21-11(19-20-13(21)23)9-4-3-5-10(6-9)22-14(17,18)12(15)16/h3-6,8,12H,7H2,1-2H3,(H,20,23)
InChIKey
RFUWTSAVQHXLLA-UHFFFAOYSA-N
Synonyms
828286-63-1
4(2methylpropyl)3(3(1122tetrafluoroethoxy)phenyl)1H124triazole5thione
4(2methylpropyl)5(3(1122tetrafluoroethoxy)phenyl)4H124triazole3thiol
828286631
CC(C)CN1C(=NNC1=S)C2=CC(=CC=C2)OC(C(F)F)(F)F
InChI=1SC14H15F4N3OSc18(2)72111(192013(21)23)943510(69)2214(1718)12(15)16h36812H7H212H3(H2023)
MFCD04047940
ZINC000002792275
ZINC02792275
ZINC2792275

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.