Vitas-M small molecule compound
propyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK029474
SMILES CCCOC(=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 C21H23NO5 MW 369.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO5/c1-3-9-25-21(24)18-12(2)22-14-5-4-6-15(23)20(14)19(18)13-7-8-16-17(10-13)27-11-26-16/h7-8,10,19,22H,3-6,9,11H2,1-2H3InChIKey
LABMVYDKVYFZRN-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2
CCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CCC2)C
InChI=1SC21H23NO5c1392521(24)1812(2)221454615(23)20(14)19(18)13781617(1013)27112616h78101922H36911H212H3
MFCD00771058
propyl4(13benzodioxol5yl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl4(13benzodioxol5yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK029474
ZINC000002757757
ZINC000002757758
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