Vitas-M small molecule compound

prop-2-en-1-yl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK372505
SMILES C=CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)CC)C(=O)CCC2

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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 C22H25NO3 MW 351.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO3/c1-4-13-26-22(25)19-14(3)23-17-7-6-8-18(24)21(17)20(19)16-11-9-15(5-2)10-12-16/h4,9-12,20,23H,1,5-8,13H2,2-3H3
InChIKey
YROCQRKDIPKBCT-UHFFFAOYSA-N
Synonyms
299945-88-3
299945883
CCC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCC=C)C
InChI=1SC22H25NO3c14132622(25)1914(3)231776818(24)21(17)20(19)1611915(52)101216h49122023H15813H223H3
MFCD00717908
prop2en1yl4(4ethylphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
prop2enyl4(4ethylphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000003901702
ZINC000003901703

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Available files

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