Vitas-M small molecule compound

6-[(2-ethylhexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Catalog ID
STK432182
SMILES CCCCC(CNC(=O)C1CC=CCC1C(=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 C16H27NO3 MW 281.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H27NO3/c1-3-5-8-12(4-2)11-17-15(18)13-9-6-7-10-14(13)16(19)20/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKey
CUYCAGPKVMGGHF-UHFFFAOYSA-N
Synonyms

6(((2ETHYLHEXYL)AMINO)CARBONYL)3CYCLOHEXENE1CARBOXYLICACID
6((2ethylhexyl)carbamoyl)cyclohex3ene1carboxylicacid
6(2ETHYLHEXYLCARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
6(N(2ETHYLHEXYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
CCCCC(CC)CNC(=O)C1CC=CCC1C(=O)O
InChI=1SC16H27NO3c135812(42)111715(18)139671014(13)16(19)20h671214H35811H212H3(H1718)(H1920)
MFCD03366643
ZINC000004628828
ZINC000239287450

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Available files

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