Vitas-M small molecule compound
ethyl 4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK961100
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)COc1ccc(c(c1)Cl)F)OC)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 C27H27ClFNO5 MW 499.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClFNO5/c1-4-34-27(32)24-15(2)30-21-6-5-7-22(31)26(21)25(24)16-8-11-23(33-3)17(12-16)14-35-18-9-10-20(29)19(28)13-18/h8-13,25,30H,4-7,14H2,1-3H3InChIKey
MAQPPYLTTHWECM-UHFFFAOYSA-NSynonyms
445033-46-5445033465
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)COC4=CC(=C(C=C4)F)Cl)C(=O)CCC2)C
ethyl4(3((3chloro4fluorophenoxy)methyl)4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(3((3chloro4fluorophenoxy)methyl)4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H27ClFNO5c143427(32)2415(2)302165722(31)26(21)25(24)1681123(333)17(1216)14351891020(29)19(28)1318h8132530H4714H213H3
MFCD02243914
ZINC000000648735
ZINC000000648738
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