Vitas-M small molecule compound
1-[5-hydroxy-3-methyl-5-(pentafluoroethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone
Catalog ID
STK795140
SMILES O=C(N1N=C(CC1(O)C(C(F)(F)F)(F)F)C)Cc1ccc(cc1)[N+](=O)[O-]
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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 C14H12F5N3O4 MW 381.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12F5N3O4/c1-8-7-12(24,13(15,16)14(17,18)19)21(20-8)11(23)6-9-2-4-10(5-3-9)22(25)26/h2-5,24H,6-7H2,1H3InChIKey
SYEPHZILOVPYAG-UHFFFAOYSA-NSynonyms
1((5R)5HYDROXY3METHYL5(PENTAFLUOROETHYL)45DIHYDRO1HPYRAZOL1YL)2(4NITROPHENYL)ETHANONE
1((5S)5HYDROXY3METHYL5(PENTAFLUOROETHYL)45DIHYDRO1HPYRAZOL1YL)2(4NITROPHENYL)ETHANONE
1(5hydroxy3methyl5(11222pentafluoroethyl)4Hpyrazol1yl)2(4nitrophenyl)ethanone
1(5hydroxy3methyl5(pentafluoroethyl)45dihydro1Hpyrazol1yl)2(4nitrophenyl)ethanone
1(5hydroxy3methyl5(perfluoroethyl)45dihydro1Hpyrazol1yl)2(4nitrophenyl)ethanone
1(5HYDROXY3METHYL5PENTAFLUOROETHYL45DIHYDROPYRAZOL1YL)2(4NITROPHENYL)ETHANONE
CC1=NN(C(C1)(C(C(F)(F)F)(F)F)O)C(=O)CC2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC14H12F5N3O4c18712(2413(1516)14(1718)19)21(208)11(23)692410(539)22(25)26h2524H67H21H3
MFCD02984829
O=C(N1N=C(CC1(O)C(C(F)(F)F)(F)F)C)Cc1ccc(cc1)(N+)(=O)(O)
ZINC000004836934
ZINC000004836935
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.