Vitas-M small molecule compound
propyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK026814
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cc(Cl)c(c(c1)OC)O)C(=O)CC(C2)c1ccccc1
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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/c1-4-10-34-27(32)23-15(2)29-20-12-17(16-8-6-5-7-9-16)13-21(30)25(20)24(23)18-11-19(28)26(31)22(14-18)33-3/h5-9,11,14,17,24,29,31H,4,10,12-13H2,1-3H3InChIKey
MHNRPFLKBAEXEC-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(C)NC2=C(C1c1cc(Cl)c(c(c1)OC)O)C(=O)CC(C2)c1ccccc1
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Cl)O)OC)C(=O)CC(C2)C4=CC=CC=C4)C
InChI=1SC27H28ClNO5c14103427(32)2315(2)29201217(168657916)1321(30)25(20)24(23)181119(28)26(31)22(1418)333h59111417242931H4101213H213H3
MFCD00771363
propyl4(3chloro4hydroxy5methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
propyl4(3chloro4hydroxy5methoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
STK026814
ZINC000096295142
ZINC000100552821
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