Vitas-M small molecule compound
dimethyl 2-(4-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STL363499
SMILES COC(=O)C1C(=O)CC(C(C1c1ccc(cc1)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)9-4-6-10(18)7-5-9/h4-7,12-14,22H,8H2,1-3H3InChIKey
SQJYBAIWOXUXJB-UHFFFAOYSA-NSynonyms
CC1(CC(=O)C(C(C1C(=O)OC)C2=CC=C(C=C2)F)C(=O)OC)O
DIMETHYL2(4FLUOROPHENYL)4HYDROXY4METHYL6OXO13CYCLOHEXANEDICARBOXYLATE
dimethyl2(4fluorophenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
InChI=1SC17H19FO6c117(22)811(19)13(15(20)232)12(14(17)16(21)243)94610(18)759h47121422H8H213H3
MFCD01541654
ZINC000003903507
ZINC000012436540
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