Vitas-M small molecule compound
butyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK005462
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)OC)C(=O)CCC2
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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 C22H26BrNO4 MW 448.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26BrNO4/c1-4-5-11-28-22(26)19-13(2)24-16-7-6-8-17(25)21(16)20(19)14-9-10-18(27-3)15(23)12-14/h9-10,12,20,24H,4-8,11H2,1-3H3InChIKey
RFTNUHPQKQAVIW-UHFFFAOYSA-NSynonyms
butyl4(3bromo4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butyl4(3bromo4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)OC)C(=O)CCC2
CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)Br)C(=O)CCC2)C
InChI=1SC22H26BrNO4c145112822(26)1913(2)241676817(25)21(16)20(19)1491018(273)15(23)1214h910122024H4811H213H3
MFCD00753364
STK005462
ZINC000002055461
ZINC000002055462
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