Vitas-M small molecule compound
butyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372389
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)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 C22H25NO5 MW 383.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO5/c1-3-4-10-26-22(25)19-13(2)23-15-6-5-7-16(24)21(15)20(19)14-8-9-17-18(11-14)28-12-27-17/h8-9,11,20,23H,3-7,10,12H2,1-2H3InChIKey
RVSQDUOWKDKKHJ-UHFFFAOYSA-NSynonyms
butyl4(13benzodioxol5yl)2methyl5oxo145678hexahydroquinoline3carboxylate
butyl4(13benzodioxol5yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CCC2)C
InChI=1SC22H25NO5c134102622(25)1913(2)231565716(24)21(15)20(19)14891718(1114)28122717h89112023H371012H212H3
MFCD00771090
ZINC000003098441
ZINC000003098442
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