Vitas-M small molecule compound
propyl 7-(4-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK063303
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)O)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 C27H28ClNO5 MW 481.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClNO5/c1-4-11-34-27(32)24-15(2)29-20-12-18(16-5-8-19(28)9-6-16)13-22(31)26(20)25(24)17-7-10-21(30)23(14-17)33-3/h5-10,14,18,25,29-30H,4,11-13H2,1-3H3InChIKey
BPRKNVXZKTXDAZ-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)O)C(=O)CC(C2)c1ccc(cc1)Cl
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)OC)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
InChI=1SC27H28ClNO5c14113427(32)2415(2)29201218(165819(28)9616)1322(31)26(20)25(24)1771021(30)23(1417)333h5101418252930H41113H213H3
MFCD01825136
propyl7(4chlorophenyl)4(4hydroxy3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl7(4chlorophenyl)4(4hydroxy3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK063303
ZINC000002923260
ZINC000002923280
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