Vitas-M small molecule compound
methyl 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
STL176515
SMILES COC(=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 C27H27BrFNO4 MW 528.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27BrFNO4/c1-15-23(26(32)33-4)24(25-20(30-15)12-27(2,3)13-21(25)31)19-11-17(28)8-9-22(19)34-14-16-6-5-7-18(29)10-16/h5-11,24,30H,12-14H2,1-4H3InChIKey
XGEYUAFDWGSXEH-UHFFFAOYSA-NSynonyms
745039-68-3745039683
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C=CC(=C3)Br)OCC4=CC(=CC=C4)F)C(=O)OC
InChI=1SC27H27BrFNO4c11523(26(32)334)24(2520(3015)1227(23)1321(25)31)191117(28)8922(19)34141665718(29)1016h5112430H1214H214H3
methyl4(5bromo2((3fluorobenzyl)oxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(5bromo2((3fluorophenyl)methoxy)phenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD03883568
ZINC000002743601
ZINC000002743602
Check stock
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