Vitas-M small molecule compound

(3E)-1,1,1-trifluoro-4-[(2-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}phenyl)amino]pent-3-en-2-one

Catalog ID
STK029462
SMILES CC1=NN(C(C1)(O)C(F)(F)F)C(=O)c1ccccc1N/C(=C/C(=O)C(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 C17H15F6N3O3 MW 423.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15F6N3O3/c1-9(7-13(27)16(18,19)20)24-12-6-4-3-5-11(12)14(28)26-15(29,17(21,22)23)8-10(2)25-26/h3-7,24,29H,8H2,1-2H3/b9-7+
InChIKey
CCYUKMGLRJJCFX-VQHVLOKHSA-N
Synonyms

(3E)111TRIFLUORO4((2((5HYDROXY3METHYL5(TRIFLUOROMETHYL)(2PYRAZOLINYL))CARBONYL)PHENYL)AMINO)PENT3EN2ONE
(3E)111TRIFLUORO4((2((5HYDROXY3METHYL5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL1YL)CARBONYL)PHENYL)AMINO)PENT3EN2ONE
(E)111trifluoro4((2(5hydroxy3methyl5(trifluoromethyl)45dihydro1Hpyrazole1carbonyl)phenyl)amino)pent3en2one
(E)111TRIFLUORO4(2(5HYDROXY3METHYL5(TRIFLUOROMETHYL)4HPYRAZOLE1CARBONYL)ANILINO)PENT3EN2ONE
CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=CC=C2NC(=CC(=O)C(F)(F)F)C
CC1=NN(C(C1)(O)C(F)(F)F)C(=O)c1ccccc1NC(=CC(=O)C(F)(F)F)C
InChI=1SC17H15F6N3O3c19(713(27)16(1819)20)2412643511(12)14(28)2615(2917(2122)23)810(2)2526h372429H8H212H3b97+
MFCD01047650
STK029462
ZINC000006077374
ZINC000018285924

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Available files

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