Vitas-M small molecule compound

6-[(3,4-dimethylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid

Catalog ID
STK426074
SMILES O=C(C1CC(=C(CC1C(=O)O)C)C)Nc1ccc(c(c1)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 C18H23NO3 MW 301.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23NO3/c1-10-5-6-14(7-11(10)2)19-17(20)15-8-12(3)13(4)9-16(15)18(21)22/h5-7,15-16H,8-9H2,1-4H3,(H,19,20)(H,21,22)
InChIKey
BLAIRZLICJJZPO-UHFFFAOYSA-N
Synonyms

6((34dimethylphenyl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6(N(34DIMETHYLPHENYL)CARBAMOYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
CC1=C(CC(C(C1)C(=O)NC2=CC(=C(C=C2)C)C)C(=O)O)C
InChI=1SC18H23NO3c1105614(711(10)2)1917(20)15812(3)13(4)916(15)18(21)22h571516H89H214H3(H1920)(H2122)
MFCD02609192
ZINC000004902181
ZINC000004902184

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Available files

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