Vitas-M small molecule compound
N-(5-bromopyridin-2-yl)-4-{5-[(4-cyanophenoxy)methyl]furan-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STL171784
SMILES N#Cc1ccc(cc1)OCc1ccc(o1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)Nc1ccc(cn1)Br
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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 C28H23BrN4O4 MW 559.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23BrN4O4/c1-16-25(28(35)33-24-12-7-18(29)14-31-24)27(26-21(32-16)3-2-4-22(26)34)23-11-10-20(37-23)15-36-19-8-5-17(13-30)6-9-19/h5-12,14,27,32H,2-4,15H2,1H3,(H,31,33,35)InChIKey
PCESBNYBAHEURR-UHFFFAOYSA-NSynonyms
445016-47-7445016477
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(O3)COC4=CC=C(C=C4)C#N)C(=O)NC5=NC=C(C=C5)Br
InChI=1SC28H23BrN4O4c11625(28(35)332412718(29)143124)27(2621(3216)32422(26)34)23111020(3723)1536198517(1330)6919h512142732H2415H21H3(H313335)
MFCD03072862
N(5bromopyridin2yl)4(5((4cyanophenoxy)methyl)furan2yl)2methyl5oxo145678hexahydroquinoline3carboxamide
N(5bromopyridin2yl)4(5((4cyanophenoxy)methyl)furan2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxamide
ZINC000000689058
ZINC000098043780
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