Vitas-M small molecule compound
butyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372627
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OC(=O)C)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 C23H27NO5 MW 397.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO5/c1-4-5-13-28-23(27)20-14(2)24-18-7-6-8-19(26)22(18)21(20)16-9-11-17(12-10-16)29-15(3)25/h9-12,21,24H,4-8,13H2,1-3H3InChIKey
ZSTVRHCZBHIHTR-UHFFFAOYSA-NSynonyms
butyl4(4(acetyloxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butyl4(4acetyloxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OC(=O)C)C(=O)CCC2)C
InChI=1SC23H27NO5c145132823(27)2014(2)241876819(26)22(18)21(20)1691117(121016)2915(3)25h9122124H4813H213H3
MFCD00753341
ZINC000002055437
ZINC000002055438
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