Vitas-M small molecule compound

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

Catalog ID
STK268216
SMILES O=C(C1CC=CCC1C(=O)O)Nc1c(C)cccc1C

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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/c1-10-6-5-7-11(2)14(10)17-15(18)12-8-3-4-9-13(12)16(19)20/h3-7,12-13H,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKey
PVYMNIJDLNZWFT-UHFFFAOYSA-N
Synonyms
198283-90-8
198283908
6((26DIMETHYLANILINO)CARBONYL)CYCLOHEX3ENE1CARBOXYLICACID
6((26dimethylphenyl)carbamoyl)cyclohex3ene1carboxylicacid
6(N(26DIMETHYLPHENYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
CC1=C(C(=CC=C1)C)NC(=O)C2CC=CCC2C(=O)O
InChI=1SC16H19NO3c11065711(2)14(10)1715(18)12834913(12)16(19)20h371213H89H212H3(H1718)(H1920)
MFCD00157592
ZINC000004134011
ZINC000004134014

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Available files

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