Vitas-M small molecule compound
benzyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402385
SMILES CCc1ccc(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 C26H27NO3 MW 401.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO3/c1-3-18-12-14-20(15-13-18)24-23(26(29)30-16-19-8-5-4-6-9-19)17(2)27-21-10-7-11-22(28)25(21)24/h4-6,8-9,12-15,24,27H,3,7,10-11,16H2,1-2H3InChIKey
ILMMOQWGBKXFFY-UHFFFAOYSA-NSynonyms
benzyl4(4ethylphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(4ethylphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCC4=CC=CC=C4)C
InChI=1SC26H27NO3c1318121420(151318)2423(26(29)3016198546919)17(2)27211071122(28)25(21)24h468912152427H37101116H212H3
MFCD00753033
ZINC000000726539
ZINC000000726540
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