Vitas-M small molecule compound
ethyl 4-{5-bromo-2-[(3-fluorobenzyl)oxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL176517
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)ccc1OCc1cccc(c1)F)C(=O)CC(C2)(C)C
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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 C28H29BrFNO4 MW 542.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29BrFNO4/c1-5-34-27(33)24-16(2)31-21-13-28(3,4)14-22(32)26(21)25(24)20-12-18(29)9-10-23(20)35-15-17-7-6-8-19(30)11-17/h6-12,25,31H,5,13-15H2,1-4H3InChIKey
GPAWBMXIYJMXBG-UHFFFAOYSA-NSynonyms
741279-65-2741279652
CCOC(=O)C1=C(NC2=C(C1C3=C(C=CC(=C3)Br)OCC4=CC(=CC=C4)F)C(=O)CC(C2)(C)C)C
ethyl4(5bromo2((3fluorobenzyl)oxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(5bromo2((3fluorophenyl)methoxy)phenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC28H29BrFNO4c153427(33)2416(2)31211328(34)1422(32)26(21)25(24)201218(29)91023(20)35151776819(30)1117h6122531H51315H214H3
MFCD03883570
ZINC000002756181
ZINC000002756182
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