Vitas-M small molecule compound

dimethyl 2-(3-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

Catalog ID
STL239452
SMILES COC(=O)C1C(=O)CC(C(C1c1cccc(c1)F)C(=O)OC)(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 C17H19FO6 MW 338.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19FO6/c1-17(22)8-11(19)13(15(20)23-2)12(14(17)16(21)24-3)9-5-4-6-10(18)7-9/h4-7,12-14,22H,8H2,1-3H3
InChIKey
VWSSGGXGLTVPHH-UHFFFAOYSA-N
Synonyms
471259-31-1
471259311
CC1(CC(=O)C(C(C1C(=O)OC)C2=CC(=CC=C2)F)C(=O)OC)O
DIMETHYL(1S2R3R4R)2(3FLUOROPHENYL)4HYDROXY4METHYL6OXOCYCLOHEXANE13DICARBOXYLATE
dimethyl2(3fluorophenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
InChI=1SC17H19FO6c117(22)811(19)13(15(20)232)12(14(17)16(21)243)954610(18)79h47121422H8H213H3
MFCD01541657
ZINC000003903511
ZINC000013582726

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Available files

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