Vitas-M small molecule compound

4-methyl-3-(pentanoylamino)benzoic acid

Catalog ID
STK412446
SMILES Cc1ccc(cc1NC(=O)CCCC)C(=O)O

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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 C13H17NO3 MW 235.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17NO3/c1-3-4-5-12(15)14-11-8-10(13(16)17)7-6-9(11)2/h6-8H,3-5H2,1-2H3,(H,14,15)(H,16,17)
InChIKey
KGWLPOUJWIZHEV-UHFFFAOYSA-N
Synonyms
915921-34-5
4methyl3(pentanoylamino)benzoicacid
4METHYL3PENTANAMIDOBENZOICACID
915921345
CCCCC(=O)NC1=C(C=CC(=C1)C(=O)O)C
InChI=1SC13H17NO3c134512(15)1411810(13(16)17)769(11)2h68H35H212H3(H1415)(H1617)
ZINC12030645

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Available files

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