Vitas-M small molecule compound

4-methyl-3-[(2-methylpentanoyl)amino]benzoic acid

Catalog ID
STK360608
SMILES CCCC(C(=O)Nc1cc(ccc1C)C(=O)O)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 C14H19NO3 MW 249.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19NO3/c1-4-5-10(3)13(16)15-12-8-11(14(17)18)7-6-9(12)2/h6-8,10H,4-5H2,1-3H3,(H,15,16)(H,17,18)
InChIKey
RMHOMYXUTRSNNG-UHFFFAOYSA-N
Synonyms

4methyl3((2methylpentanoyl)amino)benzoicacid
4methyl3(2methylpentanoylamino)benzoicacid
CCCC(C)C(=O)NC1=C(C=CC(=C1)C(=O)O)C
InChI=1SC14H19NO3c14510(3)13(16)1512811(14(17)18)769(12)2h6810H45H213H3(H1516)(H1718)
MFCD11538062
ZINC000020096606
ZINC000020096608

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Available files

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