Vitas-M small molecule compound
methyl 4-{3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK961460
SMILES COC(=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 C26H25ClFNO5 MW 485.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClFNO5/c1-14-23(26(31)33-3)24(25-19(29-14)5-4-6-20(25)30)15-7-9-21(32-2)16(11-15)13-34-22-10-8-17(28)12-18(22)27/h7-12,24,29H,4-6,13H2,1-3H3InChIKey
UFWBMAFUBIGZHH-UHFFFAOYSA-NSynonyms
515873-36-6515873366
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OC)COC4=C(C=C(C=C4)F)Cl)C(=O)OC
InChI=1SC26H25ClFNO5c11423(26(31)333)24(2519(2914)54620(25)30)157921(322)16(1115)13342210817(28)1218(22)27h7122429H4613H213H3
methyl4(3((2chloro4fluorophenoxy)methyl)4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3((2chloro4fluorophenoxy)methyl)4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02374179
ZINC000002775994
ZINC000002775995
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