Vitas-M small molecule compound
ethyl 7-(4-chlorophenyl)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363359
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OCC)C(=O)CC(C2)c1ccc(cc1)Cl
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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 C27H28ClNO4 MW 465.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClNO4/c1-4-32-21-12-8-18(9-13-21)25-24(27(31)33-5-2)16(3)29-22-14-19(15-23(30)26(22)25)17-6-10-20(28)11-7-17/h6-13,19,25,29H,4-5,14-15H2,1-3H3InChIKey
IUMDBTWZESGCPA-UHFFFAOYSA-NSynonyms
303140-90-1303140901
CCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OCC)C
ethyl7(4chlorophenyl)4(4ethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl7(4chlorophenyl)4(4ethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H28ClNO4c14322112818(91321)2524(27(31)3352)16(3)29221419(1523(30)26(22)25)1761020(28)11717h613192529H451415H213H3
MFCD01191854
ZINC000000844187
ZINC000000844190
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