Vitas-M small molecule compound
diethyl 2-amino-4-(2-fluorophenyl)-7-(3-methoxyphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK682696
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2c1cccc(c1)C(F)(F)F)N)C(=O)OCC)c1ccccc1F)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 C35H32F4N2O6 MW 652.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H32F4N2O6/c1-4-46-33(43)28-24(19-10-8-13-22(16-19)45-3)18-26-29(31(28)42)27(23-14-6-7-15-25(23)36)30(34(44)47-5-2)32(40)41(26)21-12-9-11-20(17-21)35(37,38)39/h6-17,24,27-28H,4-5,18,40H2,1-3H3InChIKey
CBVKJEBZJXDTHC-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=C4F)C5=CC(=CC=C5)OC
diethyl2amino4(2fluorophenyl)7(3methoxyphenyl)5oxo1(3(trifluoromethyl)phenyl)145678hexahydroquinoline36dicarboxylate
diethyl2amino4(2fluorophenyl)7(3methoxyphenyl)5oxo1(3(trifluoromethyl)phenyl)4678tetrahydroquinoline36dicarboxylate
InChI=1SC35H32F4N2O6c144633(43)2824(191081322(1619)453)182629(31(28)42)27(2314671525(23)36)30(34(44)4752)32(40)41(26)211291120(1721)35(3738)39h617242728H451840H213H3
MFCD04060505
ZINC000150384181
ZINC000230021480
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