Vitas-M small molecule compound
benzyl 2-methyl-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK084786
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1C)C(=O)CCC2)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/c1-16-9-6-7-12-19(16)23-22(25(28)29-15-18-10-4-3-5-11-18)17(2)26-20-13-8-14-21(27)24(20)23/h3-7,9-12,23,26H,8,13-15H2,1-2H3InChIKey
WYADDMYTBUPERL-UHFFFAOYSA-NSynonyms
benzyl2methyl4(2methylphenyl)5oxo145678hexahydroquinoline3carboxylate
benzyl2methyl4(2methylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=CC=CC=C1C2C3=C(CCCC3=O)NC(=C2C(=O)OCC4=CC=CC=C4)C
InChI=1SC25H25NO3c1169671219(16)2322(25(28)291518104351118)17(2)26201381421(27)24(20)23h379122326H81315H212H3
MFCD02188598
O=C(C1=C(C)NC2=C(C1c1ccccc1C)C(=O)CCC2)OCc1ccccc1
STK084786
ZINC000001213380
ZINC000001213383
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