Vitas-M small molecule compound

methyl 4-{5-[(2-bromophenoxy)methyl]furan-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK961154
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(o1)COc1ccccc1Br)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 C23H22BrNO5 MW 472.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22BrNO5/c1-13-20(23(27)28-2)22(21-16(25-13)7-5-8-17(21)26)19-11-10-14(30-19)12-29-18-9-4-3-6-15(18)24/h3-4,6,9-11,22,25H,5,7-8,12H2,1-2H3
InChIKey
RIOPDYXERRETCN-UHFFFAOYSA-N
Synonyms
445034-27-5
445034275
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(O3)COC4=CC=CC=C4Br)C(=O)OC
InChI=1SC23H22BrNO5c11320(23(27)282)22(2116(2513)75817(21)26)19111014(3019)122918943615(18)24h3469112225H57812H212H3
methyl4(5((2bromophenoxy)methyl)furan2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(5((2bromophenoxy)methyl)furan2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02244046
ZINC000002770001
ZINC000002770002

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Available files

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