Vitas-M small molecule compound

ethyl 4-[4-(dimethylamino)phenyl]-2-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK366660
SMILES CCOC(=O)C1=C(CC)NC2=C(C1c1ccc(cc1)N(C)C)C(=O)CC(C2)(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 C24H32N2O3 MW 396.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H32N2O3/c1-7-17-22(23(28)29-8-2)20(15-9-11-16(12-10-15)26(5)6)21-18(25-17)13-24(3,4)14-19(21)27/h9-12,20,25H,7-8,13-14H2,1-6H3
InChIKey
JAYGAWBQMHLLTH-UHFFFAOYSA-N
Synonyms

CCC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)N(C)C)C(=O)OCC
ethyl4(4(dimethylamino)phenyl)2ethyl77dimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4(dimethylamino)phenyl)2ethyl77dimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC24H32N2O3c171722(23(28)2982)20(1591116(121015)26(5)6)2118(2517)1324(34)1419(21)27h9122025H781314H216H3
MFCD00345037
ZINC000019314751
ZINC000019314754

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Available files

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