Vitas-M small molecule compound
diethyl 2-amino-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK684892
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(c1cccc(c1)[N+](=O)[O-])C(=C(N2c1cccc(c1)C(F)(F)F)N)C(=O)OCC)c1cccs1
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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 C32H28F3N3O7S MW 655.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28F3N3O7S/c1-3-44-30(40)25-21(23-12-7-13-46-23)16-22-26(28(25)39)24(17-8-5-11-20(14-17)38(42)43)27(31(41)45-4-2)29(36)37(22)19-10-6-9-18(15-19)32(33,34)35/h5-15,21,24-25H,3-4,16,36H2,1-2H3InChIKey
ZHPQLLDBXUYCLU-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)(N+)(=O)(O))C5=CC=CS5CCOC(=O)C1C(CC2=C(C1=O)C(c1cccc(c1)(N+)(=O)(O))C(=C(N2c1cccc(c1)C(F)(F)F)N)C(=O)OCC)c1cccs1
diethyl2amino4(3nitrophenyl)5oxo7(thiophen2yl)1(3(trifluoromethyl)phenyl)145678hexahydroquinoline36dicarboxylate
diethyl2amino4(3nitrophenyl)5oxo7thiophen2yl1(3(trifluoromethyl)phenyl)4678tetrahydroquinoline36dicarboxylate
Registry IDs
MFCD05856462ZINC000150385554
ZINC000150663311
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