Vitas-M small molecule compound

dimethyl 2-amino-4-(3-chlorophenyl)-1-(3-fluorophenyl)-7-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK683168
SMILES COC(=O)C1C(CC2=C(C1=O)C(c1cccc(c1)Cl)C(=C(N2c1cccc(c1)F)N)C(=O)OC)c1ccc(cc1)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 C32H28ClFN2O6 MW 591.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28ClFN2O6/c1-40-22-12-10-17(11-13-22)23-16-24-27(29(37)26(23)31(38)41-2)25(18-6-4-7-19(33)14-18)28(32(39)42-3)30(35)36(24)21-9-5-8-20(34)15-21/h4-15,23,25-26H,16,35H2,1-3H3
InChIKey
DUEFDAFIIDPJOJ-UHFFFAOYSA-N
Synonyms

COC1=CC=C(C=C1)C2CC3=C(C(C(=C(N3C4=CC(=CC=C4)F)N)C(=O)OC)C5=CC(=CC=C5)Cl)C(=O)C2C(=O)OC
dimethyl2amino4(3chlorophenyl)1(3fluorophenyl)7(4methoxyphenyl)5oxo145678hexahydroquinoline36dicarboxylate
dimethyl2amino4(3chlorophenyl)1(3fluorophenyl)7(4methoxyphenyl)5oxo4678tetrahydroquinoline36dicarboxylate
InChI=1SC32H28ClFN2O6c14022121017(111322)23162427(29(37)26(23)31(38)412)25(1864719(33)1418)28(32(39)423)30(35)36(24)2195820(34)1521h415232526H1635H213H3
MFCD05256947
ZINC000100155831
ZINC000100155840

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Available files

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