Vitas-M small molecule compound
propyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(4-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK060573
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OCCC)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 C29H32ClNO4 MW 494.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32ClNO4/c1-4-14-34-23-12-8-20(9-13-23)27-26(29(33)35-15-5-2)18(3)31-24-16-21(17-25(32)28(24)27)19-6-10-22(30)11-7-19/h6-13,21,27,31H,4-5,14-17H2,1-3H3InChIKey
YFCOMOLRICEVBB-UHFFFAOYSA-NSynonyms
5724-93-65724936
CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OCCC)C(=O)CC(C2)c1ccc(cc1)Cl
CCCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OCCC)C
InChI=1SC29H32ClNO4c1414342312820(91323)2726(29(33)351552)18(3)31241621(1725(32)28(24)27)1961022(30)11719h613212731H451417H213H3
MFCD01824388
propyl7(4chlorophenyl)2methyl5oxo4(4propoxyphenyl)145678hexahydroquinoline3carboxylate
propyl7(4chlorophenyl)2methyl5oxo4(4propoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
STK060573
ZINC000009553496
ZINC000009554064
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