Vitas-M small molecule compound
methyl 4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK956092
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(COc3ccc(cc3Cl)F)c(cc1C)C)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 C27H27ClFNO4 MW 483.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClFNO4/c1-14-10-15(2)19(11-17(14)13-34-23-9-8-18(29)12-20(23)28)25-24(27(32)33-4)16(3)30-21-6-5-7-22(31)26(21)25/h8-12,25,30H,5-7,13H2,1-4H3InChIKey
WONFWSCRTWEADU-UHFFFAOYSA-NSynonyms
438217-68-6438217686
CC1=CC(=C(C=C1C2C3=C(CCCC3=O)NC(=C2C(=O)OC)C)COC4=C(C=C(C=C4)F)Cl)C
InChI=1SC27H27ClFNO4c1141015(2)19(1117(14)1334239818(29)1220(23)28)2524(27(32)334)16(3)302165722(31)26(21)25h8122530H5713H214H3
methyl4(5((2chloro4fluorophenoxy)methyl)24dimethylphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(5((2chloro4fluorophenoxy)methyl)24dimethylphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD03312593
ZINC000008441734
ZINC000008441736
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