Vitas-M small molecule compound

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

Catalog ID
STK363179
SMILES Cc1ccc(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 C25H25NO3 MW 387.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO3/c1-16-11-13-19(14-12-16)23-22(25(28)29-15-18-7-4-3-5-8-18)17(2)26-20-9-6-10-21(27)24(20)23/h3-5,7-8,11-14,23,26H,6,9-10,15H2,1-2H3
InChIKey
KUMBOZOVAHYAQG-UHFFFAOYSA-N
Synonyms

benzyl2methyl4(4methylphenyl)5oxo145678hexahydroquinoline3carboxylate
benzyl2methyl4(4methylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCC4=CC=CC=C4)C
InChI=1SC25H25NO3c116111319(141216)2322(25(28)2915187435818)17(2)2620961021(27)24(20)23h357811142326H691015H212H3
MFCD00717860
ZINC000000826247
ZINC000000826248

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Available files

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