Vitas-M small molecule compound

6-(heptan-2-ylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid

Catalog ID
STK426254
SMILES CCCCCC(NC(=O)C1CC(=C(CC1C(=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 C17H29NO3 MW 295.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H29NO3/c1-5-6-7-8-13(4)18-16(19)14-9-11(2)12(3)10-15(14)17(20)21/h13-15H,5-10H2,1-4H3,(H,18,19)(H,20,21)
InChIKey
ZKMOMRBJRDQHJW-UHFFFAOYSA-N
Synonyms

34DIMETHYL6(N(METHYLHEXYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
6(heptan2ylcarbamoyl)34dimethylcyclohex3ene1carboxylicacid
CCCCCC(C)NC(=O)C1CC(=C(CC1C(=O)O)C)C
InChI=1SC17H29NO3c1567813(4)1816(19)14911(2)12(3)1015(14)17(20)21h1315H510H214H3(H1819)(H2021)
MFCD02608995
ZINC000004651530
ZINC000239439100

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Available files

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