Vitas-M small molecule compound

2-[(3,4-dimethylphenyl)carbonyl]cyclohexanecarboxylic acid

Catalog ID
STL570935
SMILES OC(=O)C1CCCCC1C(=O)c1ccc(c(c1)C)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 C16H20O3 MW 260.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20O3/c1-10-7-8-12(9-11(10)2)15(17)13-5-3-4-6-14(13)16(18)19/h7-9,13-14H,3-6H2,1-2H3,(H,18,19)
InChIKey
UBXZSNPWWNXBLU-UHFFFAOYSA-N
Synonyms

2((34dimethylphenyl)carbonyl)cyclohexanecarboxylicacid
2(34dimethylbenzoyl)cyclohexane1carboxylicacid
2758536
CIS2(34DIMETHYLBENZOYL)CYCLOHEXANE1CARBOXYLICACID
InChI=1SC16H20O3c1107812(911(10)2)15(17)13534614(13)16(18)19h791314H36H212H3(H1819)
MFCD07775676
ZINC000002378365
ZINC000015441576

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Available files

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