Vitas-M small molecule compound
dimethyl 2-amino-5-oxo-7-phenyl-4-(pyridin-3-yl)-1-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK683353
SMILES COC(=O)C1=C(N)N(C2=C(C1c1cccnc1)C(=O)C(C(=O)OC)C(C2)c1ccccc1)c1ccc(cc1)C(F)(F)F
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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 C31H26F3N3O5 MW 577.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26F3N3O5/c1-41-29(39)24-21(17-7-4-3-5-8-17)15-22-25(27(24)38)23(18-9-6-14-36-16-18)26(30(40)42-2)28(35)37(22)20-12-10-19(11-13-20)31(32,33)34/h3-14,16,21,23-24H,15,35H2,1-2H3InChIKey
CNLQEXKEXMONMB-UHFFFAOYSA-NSynonyms
COC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC=C(C=C3)C(F)(F)F)N)C(=O)OC)C4=CN=CC=C4)C5=CC=CC=C5
dimethyl2amino5oxo7phenyl4(pyridin3yl)1(4(trifluoromethyl)phenyl)145678hexahydroquinoline36dicarboxylate
dimethyl2amino5oxo7phenyl4pyridin3yl1(4(trifluoromethyl)phenyl)4678tetrahydroquinoline36dicarboxylate
InChI=1SC31H26F3N3O5c14129(39)2421(177435817)152225(27(24)38)23(189614361618)26(30(40)422)28(35)37(22)20121019(111320)31(3233)34h31416212324H1535H212H3
MFCD05257544
ZINC000100157564
ZINC000230025137
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