Vitas-M small molecule compound

3-[(4-methylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

Catalog ID
STK479779
SMILES O=C(C1C2CCC(C1C(=O)O)C2)Nc1ccc(cc1)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 C16H19NO3 MW 273.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19NO3/c1-9-2-6-12(7-3-9)17-15(18)13-10-4-5-11(8-10)14(13)16(19)20/h2-3,6-7,10-11,13-14H,4-5,8H2,1H3,(H,17,18)(H,19,20)
InChIKey
WNICCAJEALDAAW-UHFFFAOYSA-N
Synonyms

2((4METHYLPHENYL)CARBAMOYL)BICYCLO(221)HEPTANE3CARBOXYLICACID
3((4methylphenyl)carbamoyl)bicyclo(221)heptane2carboxylicacid
3(N(4METHYLPHENYL)CARBAMOYL)BICYCLO(221)HEPTANE2CARBOXYLICACID
CC1=CC=C(C=C1)NC(=O)C2C3CCC(C3)C2C(=O)O
InChI=1SC16H19NO3c192612(739)1715(18)13104511(810)14(13)16(19)20h236710111314H458H21H3(H1718)(H1920)
MFCD01156303
ZINC000100795586
ZINC000140033176

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Available files

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