Vitas-M small molecule compound

2-(butanoylamino)-5-chlorobenzoic acid

Catalog ID
STK299519
SMILES CCCC(=O)Nc1ccc(cc1C(=O)O)Cl

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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 C11H12ClNO3 MW 241.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H12ClNO3/c1-2-3-10(14)13-9-5-4-7(12)6-8(9)11(15)16/h4-6H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKey
JXUMPBGCXKTRIJ-UHFFFAOYSA-N
Synonyms

2(butanoylamino)5chlorobenzoicacid
2BUTANAMIDO5CHLOROBENZOICACID
CCCC(=O)NC1=C(C=C(C=C1)Cl)C(=O)O
InChI=1SC11H12ClNO3c12310(14)139547(12)68(9)11(15)16h46H23H21H3(H1314)(H1516)
MFCD00157526
ZINC000004506906
ZINC4506906

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Available files

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