Vitas-M small molecule compound
methyl 4-(3-bromo-4-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK047919
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)F)C(=O)CC(C2)c1ccccc1OC
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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 C25H23BrFNO4 MW 500.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrFNO4/c1-13-22(25(30)32-3)23(14-8-9-18(27)17(26)10-14)24-19(28-13)11-15(12-20(24)29)16-6-4-5-7-21(16)31-2/h4-10,15,23,28H,11-12H2,1-3H3InChIKey
HVKKHYAFVBLEAO-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC(=C(C=C4)F)Br)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)F)C(=O)CC(C2)c1ccccc1OC
InChI=1SC25H23BrFNO4c11322(25(30)323)23(148918(27)17(26)1014)2419(2813)1115(1220(24)29)16645721(16)312h410152328H1112H213H3
methyl4(3bromo4fluorophenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3bromo4fluorophenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD03145515
STK047919
ZINC000001152227
ZINC000001152230
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