Vitas-M small molecule compound
ethyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK042007
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)F)C(=O)CC(C2)c1ccc(c(c1)OC)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 C27H28FNO5 MW 465.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28FNO5/c1-5-34-27(31)24-15(2)29-20-12-18(17-8-11-22(32-3)23(14-17)33-4)13-21(30)26(20)25(24)16-6-9-19(28)10-7-16/h6-11,14,18,25,29H,5,12-13H2,1-4H3InChIKey
WBXDQYFJRZCORR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)F)C(=O)CC(C2)c1ccc(c(c1)OC)OC
CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)F)C(=O)CC(C2)C4=CC(=C(C=C4)OC)OC)C
ethyl7(34dimethoxyphenyl)4(4fluorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl7(34dimethoxyphenyl)4(4fluorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H28FNO5c153427(31)2415(2)29201218(1781122(323)23(1417)334)1321(30)26(20)25(24)166919(28)10716h61114182529H51213H214H3
MFCD02224180
STK042007
ZINC000000678767
ZINC000000678776
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