Vitas-M small molecule compound

methyl 2,2-dimethyl-4,6-dioxo-5-(phenylcarbonyl)cyclohexanecarboxylate

Catalog ID
STL525245
SMILES COC(=O)C1C(=O)C(C(=O)CC1(C)C)C(=O)c1ccccc1

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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 C17H18O5 MW 302.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18O5/c1-17(2)9-11(18)12(15(20)13(17)16(21)22-3)14(19)10-7-5-4-6-8-10/h4-8,12-13H,9H2,1-3H3
InChIKey
QYKJAPAZNLLACJ-UHFFFAOYSA-N
Synonyms
331965-96-9
2834789
331965969
5BENZOYL22DIMETHYL46DIOXOCYCLOHEXANECARBOXYLICACIDMETHYLESTER
InChI=1SC17H18O5c117(2)911(18)12(15(20)13(17)16(21)223)14(19)107546810h481213H9H213H3
methyl22dimethyl46dioxo5(phenylcarbonyl)cyclohexanecarboxylate
METHYL5BENZOYL22DIMETHYL46DIOXOCYCLOHEXANE1CARBOXYLATE
methyl5benzoyl22dimethyl46dioxocyclohexanecarboxylate
MFCD00564228
ZINC000100660375
ZINC000100660383

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Available files

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