Vitas-M small molecule compound
prop-2-en-1-yl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372500
SMILES C=CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)O)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/c1-4-11-28-22(26)19-13(3)23-15-7-6-8-17(25)21(15)20(19)14-9-10-16(24)18(12-14)27-5-2/h4,9-10,12,20,23-24H,1,5-8,11H2,2-3H3InChIKey
CLKYGJLWORFYIB-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCC=C)C)O
InChI=1SC22H25NO5c14112822(26)1913(3)231576817(25)21(15)20(19)1491016(24)18(1214)2752h491012202324H15811H223H3
MFCD00717903
prop2en1yl4(3ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
prop2enyl4(3ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000004065901
ZINC000004065903
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