Vitas-M small molecule compound
propyl 4-(2,3-dichlorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK012619
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1Cl)Cl)C(=O)CC(C2)c1ccc(cc1)OC
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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 C27H27Cl2NO4 MW 500.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27Cl2NO4/c1-4-12-34-27(32)23-15(2)30-21-13-17(16-8-10-18(33-3)11-9-16)14-22(31)25(21)24(23)19-6-5-7-20(28)26(19)29/h5-11,17,24,30H,4,12-14H2,1-3H3InChIKey
OFYPQFNDZUJEBK-UHFFFAOYSA-NSynonyms
312596-82-0312596820
CCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1Cl)Cl)C(=O)CC(C2)c1ccc(cc1)OC
CCCOC(=O)C1=C(NC2=C(C1C3=C(C(=CC=C3)Cl)Cl)C(=O)CC(C2)C4=CC=C(C=C4)OC)C
InChI=1SC27H27Cl2NO4c14123427(32)2315(2)30211317(1681018(333)11916)1422(31)25(21)24(23)1965720(28)26(19)29h511172430H41214H213H3
MFCD01824380
propyl4(23dichlorophenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl4(23dichlorophenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK012619
ZINC000002757318
ZINC000002757321
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