Vitas-M small molecule compound

3-[(2-ethylbutanoyl)amino]-2-methylbenzoic acid

Catalog ID
STK520544
SMILES CCC(C(=O)Nc1cccc(c1C)C(=O)O)CC

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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/c1-4-10(5-2)13(16)15-12-8-6-7-11(9(12)3)14(17)18/h6-8,10H,4-5H2,1-3H3,(H,15,16)(H,17,18)
InChIKey
WALFTDUXXOUBEU-UHFFFAOYSA-N
Synonyms
890993-40-5
3((2ethylbutanoyl)amino)2methylbenzoicacid
3(2ETHYLBUTANAMIDO)2METHYLBENZOICACID
3(2ETHYLBUTANOYLAMINO)2METHYLBENZOICACID
890993405
CCC(CC)C(=O)NC1=CC=CC(=C1C)C(=O)O
InChI=1SC14H19NO3c1410(52)13(16)151286711(9(12)3)14(17)18h6810H45H213H3(H1516)(H1718)
MFCD07114963
ZINC000006702174
ZINC6702174

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Available files

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