Vitas-M small molecule compound
methyl 4-{5-bromo-2-[(3-fluorobenzyl)oxy]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL176516
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(Br)ccc1OCc1cccc(c1)F)C(=O)CCC2
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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/c1-14-22(25(30)31-2)23(24-19(28-14)7-4-8-20(24)29)18-12-16(26)9-10-21(18)32-13-15-5-3-6-17(27)11-15/h3,5-6,9-12,23,28H,4,7-8,13H2,1-2H3InChIKey
SEMNYMSEZBKILP-UHFFFAOYSA-NSynonyms
753495-45-3753495453
CC1=C(C(C2=C(N1)CCCC2=O)C3=C(C=CC(=C3)Br)OCC4=CC(=CC=C4)F)C(=O)OC
InChI=1SC25H23BrFNO4c11422(25(30)312)23(2419(2814)74820(24)29)181216(26)91021(18)32131553617(27)1115h3569122328H47813H212H3
methyl4(5bromo2((3fluorobenzyl)oxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(5bromo2((3fluorophenyl)methoxy)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD03883569
ZINC000002751933
ZINC000002751934
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