Vitas-M small molecule compound

benzyl 4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK372442
SMILES COc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCc1ccccc1

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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 C25H25NO4 MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO4/c1-16-22(25(28)30-15-17-7-4-3-5-8-17)23(18-11-13-19(29-2)14-12-18)24-20(26-16)9-6-10-21(24)27/h3-5,7-8,11-14,23,26H,6,9-10,15H2,1-2H3
InChIKey
IUUQICVZNYYMIA-UHFFFAOYSA-N
Synonyms
299453-78-4
299453784
benzyl4(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)OC)C(=O)OCC4=CC=CC=C4
InChI=1SC25H25NO4c11622(25(28)3015177435817)23(18111319(292)141218)2420(2616)961021(24)27h357811142326H691015H212H3
MFCD00771225
ZINC000001022928
ZINC000001022929

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Available files

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