Vitas-M small molecule compound
diethyl 2-amino-4-(3-chlorophenyl)-7-(3-methoxyphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK682805
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(c1cccc(c1)Cl)C(=C(N2c1cccc(c1)C(F)(F)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 C35H32ClF3N2O6 MW 669.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H32ClF3N2O6/c1-4-46-33(43)28-25(19-9-7-14-24(16-19)45-3)18-26-29(31(28)42)27(20-10-6-12-22(36)15-20)30(34(44)47-5-2)32(40)41(26)23-13-8-11-21(17-23)35(37,38)39/h6-17,25,27-28H,4-5,18,40H2,1-3H3InChIKey
YKPLFDHMTBDKTJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N)C(=O)OCC)C4=CC(=CC=C4)Cl)C5=CC(=CC=C5)OC
diethyl2amino4(3chlorophenyl)7(3methoxyphenyl)5oxo1(3(trifluoromethyl)phenyl)145678hexahydroquinoline36dicarboxylate
diethyl2amino4(3chlorophenyl)7(3methoxyphenyl)5oxo1(3(trifluoromethyl)phenyl)4678tetrahydroquinoline36dicarboxylate
InChI=1SC35H32ClF3N2O6c144633(43)2825(19971424(1619)453)182629(31(28)42)27(201061222(36)1520)30(34(44)4752)32(40)41(26)231381121(1723)35(3738)39h617252728H451840H213H3
MFCD04060848
ZINC000150384233
ZINC000150662678
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