Vitas-M small molecule compound

3-[(3,3-dimethylbutanoyl)amino]-4-methylbenzoic acid

Catalog ID
STK482326
SMILES O=C(Nc1cc(ccc1C)C(=O)O)CC(C)(C)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 C14H19NO3 MW 249.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19NO3/c1-9-5-6-10(13(17)18)7-11(9)15-12(16)8-14(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)(H,17,18)
InChIKey
IQZBVCIRKSIHQY-UHFFFAOYSA-N
Synonyms
915921-64-1
3((33dimethylbutanoyl)amino)4methylbenzoicacid
3(33DIMETHYLBUTANAMIDO)4METHYLBENZOICACID
3(33DIMETHYLBUTANOYLAMINO)4METHYLBENZOICACID
915921641
CC1=C(C=C(C=C1)C(=O)O)NC(=O)CC(C)(C)C
InChI=1SC14H19NO3c195610(13(17)18)711(9)1512(16)814(23)4h57H8H214H3(H1516)(H1718)
MFCD08569895
ZINC000013322625
ZINC13322625

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Available files

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