Vitas-M small molecule compound

3-fluoro-2-(pentanoylamino)benzoic acid

Catalog ID
STK978151
SMILES CCCCC(=O)Nc1c(F)cccc1C(=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 C12H14FNO3 MW 239.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14FNO3/c1-2-3-7-10(15)14-11-8(12(16)17)5-4-6-9(11)13/h4-6H,2-3,7H2,1H3,(H,14,15)(H,16,17)
InChIKey
GEPHITMCRFRPBM-UHFFFAOYSA-N
Synonyms
1223468-22-1
1223468221
3fluoro2(pentanoylamino)benzoicacid
CCCCC(=O)NC1=C(C=CC=C1F)C(=O)O
InChI=1SC12H14FNO3c123710(15)14118(12(16)17)5469(11)13h46H237H21H3(H1415)(H1617)
MFCD16604714
ZINC000044965660
ZINC44965660

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Available files

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