Vitas-M small molecule compound

4-(2,4-dimethylphenyl)-4-oxobutanoic acid

Catalog ID
STK256887
SMILES OC(=O)CCC(=O)c1ccc(cc1C)C

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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 C12H14O3 MW 206.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14O3/c1-8-3-4-10(9(2)7-8)11(13)5-6-12(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)
InChIKey
JYLUOTCHTVZCDL-UHFFFAOYSA-N
Synonyms
15880-03-2
15880032
3(24DIMETHYLBENZOYL)PROPIONICACID
4(24DIMETHYLPHENYL)4OXOBUTANOICACID
4(24DIMETHYLPHENYL)4OXOBUTYRICACID
B(24DIMETHYLBENZOYL)PROPIONICACID
BENZENEBUTANOICACID24DIMETHYLGOXO
CC1=CC(=C(C=C1)C(=O)CCC(=O)O)C
InChI=1SC12H14O3c183410(9(2)78)11(13)5612(14)15h347H56H212H3(H1415)
MFCD00020536
ZINC000000155626
ZINC155626

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Available files

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