Vitas-M small molecule compound
ethyl 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
STK955982
SMILES CCOC(=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 C28H29ClFNO4 MW 497.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29ClFNO4/c1-5-34-28(33)25-17(4)31-22-7-6-8-23(32)27(22)26(25)20-12-18(15(2)11-16(20)3)14-35-24-10-9-19(30)13-21(24)29/h9-13,26,31H,5-8,14H2,1-4H3InChIKey
LEODYCWENZMRRE-UHFFFAOYSA-NSynonyms
438215-00-0438215000
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3C)C)COC4=C(C=C(C=C4)F)Cl)C(=O)CCC2)C
ethyl4(5((2chloro4fluorophenoxy)methyl)24dimethylphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(5((2chloro4fluorophenoxy)methyl)24dimethylphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H29ClFNO4c153428(33)2517(4)312276823(32)27(22)26(25)201218(15(2)1116(20)3)14352410919(30)1321(24)29h9132631H5814H214H3
MFCD03312595
ZINC000002111095
ZINC000002111100
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