Vitas-M small molecule compound

2,4-diacetyl-3-(3-fluorophenyl)-5-hydroxy-5-methylcyclohexanone

Catalog ID
STK999375
SMILES Fc1cccc(c1)C1C(C(=O)C)C(=O)CC(C1C(=O)C)(C)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 C17H19FO4 MW 306.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19FO4/c1-9(19)14-13(21)8-17(3,22)16(10(2)20)15(14)11-5-4-6-12(18)7-11/h4-7,14-16,22H,8H2,1-3H3
InChIKey
MUXOLZVGXFGWAU-UHFFFAOYSA-N
Synonyms
471259-81-1
11(2(3fluorophenyl)4hydroxy4methyl6oxocyclohexane13diyl)diethanone
24DIACETYL3(3FLUOROPHENYL)5HYDROXY5METHYLCYCLOHEXAN1ONE
24diacetyl3(3fluorophenyl)5hydroxy5methylcyclohexanone
471259811
CC(=O)C1C(C(C(CC1=O)(C)O)C(=O)C)C2=CC(=CC=C2)F
InChI=1SC17H19FO4c19(19)1413(21)817(322)16(10(2)20)15(14)1154612(18)711h47141622H8H213H3
MFCD01827357
ZINC000019771490
ZINC000035999993

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Available files

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