Vitas-M small molecule compound
ethyl 4-(6-chloro-4-oxo-4H-chromen-3-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK017200
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)Cl)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 C22H20ClNO5 MW 413.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClNO5/c1-3-28-22(27)18-11(2)24-15-5-4-6-16(25)20(15)19(18)14-10-29-17-8-7-12(23)9-13(17)21(14)26/h7-10,19,24H,3-6H2,1-2H3InChIKey
GYIXNBCVNMWGLQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)Cl)C(=O)CCC2
CCOC(=O)C1=C(NC2=C(C1C3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)CCC2)C
ethyl4(6chloro4oxo4Hchromen3yl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(6chloro4oxochromen3yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC22H20ClNO5c132822(27)1811(2)241554616(25)20(15)19(18)141029178712(23)913(17)21(14)26h7101924H36H212H3
MFCD01824481
STK017200
ZINC000019781814
ZINC000019781815
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