Vitas-M small molecule compound
methyl 4-(3-bromo-4-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK405304
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)F)C(=O)CC(C2)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 C22H19BrFNO3S MW 476.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrFNO3S/c1-11-19(22(27)28-2)20(12-5-6-15(24)14(23)8-12)21-16(25-11)9-13(10-17(21)26)18-4-3-7-29-18/h3-8,13,20,25H,9-10H2,1-2H3InChIKey
ZJKKBWOAIPPDDE-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C=C4)F)Br)C(=O)OC
InChI=1SC22H19BrFNO3Sc11119(22(27)282)20(125615(24)14(23)812)2116(2511)913(1017(21)26)184372918h38132025H910H212H3
methyl4(3bromo4fluorophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
methyl4(3bromo4fluorophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
MFCD03999271
ZINC000001140901
ZINC000001140904
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