Vitas-M small molecule compound

(2-chlorophenyl)[5-hydroxy-3-pentyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone

Catalog ID
STK068779
SMILES CCCCCC1=NN(C(C1)(O)C(F)(F)F)C(=O)c1ccccc1Cl

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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 C16H18ClF3N2O2 MW 362.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18ClF3N2O2/c1-2-3-4-7-11-10-15(24,16(18,19)20)22(21-11)14(23)12-8-5-6-9-13(12)17/h5-6,8-9,24H,2-4,7,10H2,1H3
InChIKey
KJIBYRJWNMVMMJ-UHFFFAOYSA-N
Synonyms

(2CHLOROPHENYL)(5HYDROXY3PENTYL5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL1YL)METHANONE
(2CHLOROPHENYL)(5HYDROXY3PENTYL5(TRIFLUOROMETHYL)4HPYRAZOL1YL)METHANONE
1(2CHLOROBENZOYL)3PENTYL5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL5OL
2CHLOROPHENYL5HYDROXY3PENTYL5(TRIFLUOROMETHYL)(2PYRAZOLINYL)KETONE
CCCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=CC=C2Cl
CCCCCC1=NN(C(C1)(O)C(F)(F)F)C(=O)c1ccccc1Cl
InChI=1SC16H18ClF3N2O2c12347111015(2416(1819)20)22(2111)14(23)12856913(12)17h568924H24710H21H3
MFCD02045588
STK068779
ZINC000004309914
ZINC000004309915

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Available files

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