Vitas-M small molecule compound
diethyl 2-amino-4-(3-chlorophenyl)-1-(3-fluorophenyl)-7-(3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK683716
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(c1cccc(c1)Cl)C(=C(N2c1cccc(c1)F)N)C(=O)OCC)c1cccc(c1)OC
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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 C34H32ClFN2O6 MW 619.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32ClFN2O6/c1-4-43-33(40)28-25(19-9-7-14-24(16-19)42-3)18-26-29(31(28)39)27(20-10-6-11-21(35)15-20)30(34(41)44-5-2)32(37)38(26)23-13-8-12-22(36)17-23/h6-17,25,27-28H,4-5,18,37H2,1-3H3InChIKey
KDQLWFKNMHCOCZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC(=CC=C3)F)N)C(=O)OCC)C4=CC(=CC=C4)Cl)C5=CC(=CC=C5)OC
diethyl2amino4(3chlorophenyl)1(3fluorophenyl)7(3methoxyphenyl)5oxo145678hexahydroquinoline36dicarboxylate
diethyl2amino4(3chlorophenyl)1(3fluorophenyl)7(3methoxyphenyl)5oxo4678tetrahydroquinoline36dicarboxylate
InChI=1SC34H32ClFN2O6c144333(40)2825(19971424(1619)423)182629(31(28)39)27(201061121(35)1520)30(34(41)4452)32(37)38(26)231381222(36)1723h617252728H451837H213H3
MFCD05258605
ZINC000100160686
ZINC000103011698
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