Vitas-M small molecule compound

2-[(3-methylpent-1-yn-3-yl)carbamoyl]benzoic acid

Catalog ID
STK686006
SMILES CCC(NC(=O)c1ccccc1C(=O)O)(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 C14H15NO3 MW 245.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15NO3/c1-4-14(3,5-2)15-12(16)10-8-6-7-9-11(10)13(17)18/h1,6-9H,5H2,2-3H3,(H,15,16)(H,17,18)
InChIKey
VZGYZZMXHDWMKP-UHFFFAOYSA-N
Synonyms

2(((3R)3METHYLPENT1YN3YL)CARBAMOYL)BENZOICACID
2((3methylpent1yn3yl)carbamoyl)benzoicacid
2(3METHYLPENT1YN3YLCARBAMOYL)BENZOICACID
2(N(1ETHYL1METHYLPROP2YNYL)CARBAMOYL)BENZOICACID
CCC(C)(C#C)NC(=O)C1=CC=CC=C1C(=O)O
InChI=1SC14H15NO3c1414(352)1512(16)10867911(10)13(17)18h169H5H223H3(H1516)(H1718)
MFCD06014213
PHTHALAMICACIDN(1ETHYL1METHYLPROP2YNYL)
ZINC000001432609
ZINC000001432610

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Available files

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