Vitas-M small molecule compound
ethyl 4-{4-[(2-chloro-4-fluorophenoxy)methyl]-5-methylthiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK956002
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1sc(c(c1)COc1ccc(cc1Cl)F)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 C25H25ClFNO4S MW 489.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClFNO4S/c1-4-31-25(30)22-13(2)28-18-6-5-7-19(29)23(18)24(22)21-10-15(14(3)33-21)12-32-20-9-8-16(27)11-17(20)26/h8-11,24,28H,4-7,12H2,1-3H3InChIKey
FQMNALNNYUUORX-UHFFFAOYSA-NSynonyms
438215-44-2438215442
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(S3)C)COC4=C(C=C(C=C4)F)Cl)C(=O)CCC2)C
ethyl4(4((2chloro4fluorophenoxy)methyl)5methylthiophen2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4((2chloro4fluorophenoxy)methyl)5methylthiophen2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC25H25ClFNO4Sc143125(30)2213(2)281865719(29)23(18)24(22)211015(14(3)3321)1232209816(27)1117(20)26h8112428H4712H213H3
MFCD03312591
ZINC000002735790
ZINC000002735791
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