Vitas-M small molecule compound

2-amino-4-{5-[(3-bromophenoxy)methyl]furan-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Catalog ID
STK961053
SMILES N#CC1=C(N)OC2=C(C1c1ccc(o1)COc1cccc(c1)Br)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 C21H17BrN2O4 MW 441.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN2O4/c22-12-3-1-4-13(9-12)26-11-14-7-8-18(27-14)19-15(10-23)21(24)28-17-6-2-5-16(25)20(17)19/h1,3-4,7-9,19H,2,5-6,11,24H2
InChIKey
PKQBJOHCCVAJFA-UHFFFAOYSA-N
Synonyms
445033-04-5
2amino4(5((3bromophenoxy)methyl)furan2yl)5oxo4678tetrahydrochromene3carbonitrile
2amino4(5((3bromophenoxy)methyl)furan2yl)5oxo5678tetrahydro4Hchromene3carbonitrile
445033045
C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(O3)COC4=CC(=CC=C4)Br)C(=O)C1
InChI=1SC21H17BrN2O4c221231413(912)2611147818(2714)1915(1023)21(24)281762516(25)20(17)19h1347919H2561124H2
MFCD02243802
ZINC000002769714
ZINC000002769715

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Available files

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