Vitas-M small molecule compound

3-(dipentylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Catalog ID
STK459100
SMILES CCCCCN(C(=O)C1C2C=CC(C1C(=O)O)C2)CCCCC

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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 C19H31NO3 MW 321.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H31NO3/c1-3-5-7-11-20(12-8-6-4-2)18(21)16-14-9-10-15(13-14)17(16)19(22)23/h9-10,14-17H,3-8,11-13H2,1-2H3,(H,22,23)
InChIKey
DYNDMDXKLAADIH-UHFFFAOYSA-N
Synonyms

2(DIPENTYLCARBAMOYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3(dipentylcarbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(NNDIPENTYLCARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CCCCCN(CCCCC)C(=O)C1C2CC(C1C(=O)O)C=C2
InChI=1SC19H31NO3c13571120(128642)18(21)161491015(1314)17(16)19(22)23h9101417H381113H212H3(H2223)
MFCD00969220
ZINC000102316424
ZINC000239038808

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Available files

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