Vitas-M small molecule compound

[5-tert-butyl-5-hydroxy-3-(pentafluoroethyl)-4,5-dihydro-1H-pyrazol-1-yl](furan-2-yl)methanone

Catalog ID
STK029741
SMILES O=C(N1N=C(CC1(O)C(C)(C)C)C(C(F)(F)F)(F)F)c1ccco1

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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 C14H15F5N2O3 MW 354.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15F5N2O3/c1-11(2,3)12(23)7-9(13(15,16)14(17,18)19)20-21(12)10(22)8-5-4-6-24-8/h4-6,23H,7H2,1-3H3
InChIKey
PSRLLGQQYCPDAC-UHFFFAOYSA-N
Synonyms

(5tertbutyl5hydroxy3(11222pentafluoroethyl)4Hpyrazol1yl)(furan2yl)methanone
(5TERTBUTYL5HYDROXY3(PENTAFLUOROETHYL)45DIHYDRO1HPYRAZOL1YL)(FURAN2YL)METHANONE
CC(C)(C)C1(CC(=NN1C(=O)C2=CC=CO2)C(C(F)(F)F)(F)F)O
InChI=1SC14H15F5N2O3c111(23)12(23)79(13(1516)14(1718)19)2021(12)10(22)8546248h4623H7H213H3
MFCD03034038
O=C(N1N=C(CC1(O)C(C)(C)C)C(C(F)(F)F)(F)F)c1ccco1
STK029741
ZINC000004603295
ZINC000004603296

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Available files

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