Vitas-M small molecule compound
ethyl 4-(4-fluorophenyl)-1-(4-methylphenyl)-2,5-dioxo-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK782743
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(c1ccc(cc1)C)C(=O)CC2c1ccc(cc1)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 C29H26FNO4S MW 503.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26FNO4S/c1-3-35-29(34)27-22(24-5-4-14-36-24)15-23-26(28(27)33)21(18-8-10-19(30)11-9-18)16-25(32)31(23)20-12-6-17(2)7-13-20/h4-14,21-22,27H,3,15-16H2,1-2H3InChIKey
AQGPFKXVTQFWOQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2C3=CC=C(C=C3)C)C4=CC=C(C=C4)F)C5=CC=CS5
ethyl4(4fluorophenyl)1(4methylphenyl)25dioxo7(thiophen2yl)12345678octahydroquinoline6carboxylate
ethyl4(4fluorophenyl)1(4methylphenyl)25dioxo7thiophen2yl4678tetrahydro3Hquinoline6carboxylate
InChI=1SC29H26FNO4Sc133529(34)2722(2454143624)152326(28(27)33)21(1881019(30)11918)1625(32)31(23)2012617(2)71320h414212227H31516H212H3
MFCD06616694
ZINC000012413024
ZINC000014944868
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