Vitas-M small molecule compound
4-(4-ethoxyphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STK778605
SMILES CCOc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)Nc1ccc(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 C29H27FN2O3S MW 502.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27FN2O3S/c1-3-35-22-12-6-18(7-13-22)27-26(29(34)32-21-10-8-20(30)9-11-21)17(2)31-23-15-19(16-24(33)28(23)27)25-5-4-14-36-25/h4-14,19,27,31H,3,15-16H2,1-2H3,(H,32,34)InChIKey
HJLYAAVAPLNEFT-UHFFFAOYSA-NSynonyms
4(4ethoxyphenyl)N(4fluorophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxamide
4(4ethoxyphenyl)N(4fluorophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxamide
CCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)NC5=CC=C(C=C5)F)C
InChI=1SC29H27FN2O3Sc13352212618(71322)2726(29(34)322110820(30)91121)17(2)31231519(1624(33)28(23)27)2554143625h414192731H31516H212H3(H3234)
MFCD05856869
ZINC000012411755
ZINC000012411760
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