Vitas-M small molecule compound

dimethyl 4-oxo-2-phenylcyclohexane-1,1-dicarboxylate

Catalog ID
STK777838
SMILES COC(=O)C1(CCC(=O)CC1c1ccccc1)C(=O)OC

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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 C16H18O5 MW 290.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18O5/c1-20-14(18)16(15(19)21-2)9-8-12(17)10-13(16)11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3
InChIKey
VHBXGSSDKJMQAM-UHFFFAOYSA-N
Synonyms

COC(=O)C1(CCC(=O)CC1C2=CC=CC=C2)C(=O)OC
DIMETHYL(2R)4OXO2PHENYLCYCLOHEXANE11DICARBOXYLATE
DIMETHYL(2S)4OXO2PHENYLCYCLOHEXANE11DICARBOXYLATE
dimethyl4oxo2phenylcyclohexane11dicarboxylate
InChI=1SC16H18O5c12014(18)16(15(19)212)9812(17)1013(16)116435711h3713H810H212H3
MFCD05855011
ZINC000001425873
ZINC000001425874

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Available files

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