Vitas-M small molecule compound

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

Catalog ID
STK372568
SMILES COc1cccc(c1)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)30-15-17-8-4-3-5-9-17)23(18-10-6-11-19(14-18)29-2)24-20(26-16)12-7-13-21(24)27/h3-6,8-11,14,23,26H,7,12-13,15H2,1-2H3
InChIKey
VZYFCBBWEMSOEI-UHFFFAOYSA-N
Synonyms

benzyl4(3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)OC)C(=O)OCC4=CC=CC=C4
InChI=1SC25H25NO4c11622(25(28)3015178435917)23(181061119(1418)292)2420(2616)1271321(24)27h36811142326H7121315H212H3
MFCD00753163
ZINC000019536026
ZINC000019536028

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Available files

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