Vitas-M small molecule compound
ethyl 4-{3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK961493
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)COc1ccc(cc1Cl)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)30-20-6-5-7-21(31)26(20)25(24)16-8-10-22(33-3)17(12-16)14-35-23-11-9-18(29)13-19(23)28/h8-13,25,30H,4-7,14H2,1-3H3InChIKey
POOOOZLYSPZRFX-UHFFFAOYSA-NSynonyms
445237-11-6445237116
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)COC4=C(C=C(C=C4)F)Cl)C(=O)CCC2)C
ethyl4(3((2chloro4fluorophenoxy)methyl)4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(3((2chloro4fluorophenoxy)methyl)4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H27ClFNO5c143427(32)2415(2)302065721(31)26(20)25(24)1681022(333)17(1216)14352311918(29)1319(23)28h8132530H4714H213H3
MFCD02374389
ZINC000000649452
ZINC000000649455
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