Vitas-M small molecule compound

12-(3,5-dimethylphenyl)dodecanoic acid

Catalog ID
STL443586
SMILES OC(=O)CCCCCCCCCCCc1cc(C)cc(c1)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 C20H32O2 MW 304.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H32O2/c1-17-14-18(2)16-19(15-17)12-10-8-6-4-3-5-7-9-11-13-20(21)22/h14-16H,3-13H2,1-2H3,(H,21,22)
InChIKey
GRDWEVIBBHKSMK-UHFFFAOYSA-N
Synonyms

12(35dimethylphenyl)dodecanoicacid
CC1=CC(=CC(=C1)CCCCCCCCCCCC(=O)O)C
InChI=1SC20H32O2c1171418(2)1619(1517)12108643579111320(21)22h1416H313H212H3(H2122)
MFCD00582464
ZINC000003191741
ZINC3191741

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Available files

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