Vitas-M small molecule compound
ethyl 4-(4-fluorophenyl)-2,5-dioxo-1-phenyl-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK686141
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2c1ccccc1)c1ccc(cc1)F)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 C28H24FNO4S MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24FNO4S/c1-2-34-28(33)26-21(23-9-6-14-35-23)15-22-25(27(26)32)20(17-10-12-18(29)13-11-17)16-24(31)30(22)19-7-4-3-5-8-19/h3-14,20-21,26H,2,15-16H2,1H3InChIKey
IRAIJXTYUVMPEQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2C3=CC=CC=C3)C4=CC=C(C=C4)F)C5=CC=CS5
ethyl4(4fluorophenyl)25dioxo1phenyl7(thiophen2yl)12345678octahydroquinoline6carboxylate
ethyl4(4fluorophenyl)25dioxo1phenyl7thiophen2yl4678tetrahydro3Hquinoline6carboxylate
InChI=1SC28H24FNO4Sc123428(33)2621(2396143523)152225(27(26)32)20(17101218(29)131117)1624(31)30(22)197435819h314202126H21516H21H3
MFCD06014770
ZINC000012413041
ZINC000014944109
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