Vitas-M small molecule compound

2-hydroxy-5-[(3-methylbutanoyl)amino]benzoic acid

Catalog ID
STK802930
SMILES CC(CC(=O)Nc1ccc(c(c1)C(=O)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 C12H15NO4 MW 237.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15NO4/c1-7(2)5-11(15)13-8-3-4-10(14)9(6-8)12(16)17/h3-4,6-7,14H,5H2,1-2H3,(H,13,15)(H,16,17)
InChIKey
IKXOCBVAUSSAIA-UHFFFAOYSA-N
Synonyms
104786-91-6
104786916
2hydroxy5((3methylbutanoyl)amino)benzoicacid
2HYDROXY5(3METHYLBUTANAMIDO)BENZOICACID
2hydroxy5(3methylbutanoylamino)benzoicacid
2HYDROXY5(3METHYLBUTYRYLAMINO)BENZOICACID
CC(C)CC(=O)NC1=CC(=C(C=C1)O)C(=O)O
InChI=1SC12H15NO4c17(2)511(15)1383410(14)9(68)12(16)17h346714H5H212H3(H1315)(H1617)
MFCD00442491
ZINC000011638532
ZINC11638532

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Available files

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