Vitas-M small molecule compound
benzyl 4-(2-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363511
SMILES CCOc1ccccc1C1C(=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 C26H27NO4 MW 417.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO4/c1-3-30-22-15-8-7-12-19(22)24-23(26(29)31-16-18-10-5-4-6-11-18)17(2)27-20-13-9-14-21(28)25(20)24/h4-8,10-12,15,24,27H,3,9,13-14,16H2,1-2H3InChIKey
BNCOQZLALVQJHX-UHFFFAOYSA-NSynonyms
benzyl4(2ethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(2ethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=CC=CC=C1C2C3=C(CCCC3=O)NC(=C2C(=O)OCC4=CC=CC=C4)C
InChI=1SC26H27NO4c13302215871219(22)2423(26(29)311618105461118)17(2)27201391421(28)25(20)24h481012152427H39131416H212H3
MFCD00753292
ZINC000000844430
ZINC000000844431
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