Vitas-M small molecule compound

6-bromo-N-{1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-8-methoxy-2-oxo-2H-chromene-3-carboxamide

Catalog ID
STK783620
SMILES COc1cc(Br)cc2c1oc(=O)c(c2)C(=O)NC(c1ccc(cc1)n1cncc1)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 C22H18BrN3O4 MW 468.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN3O4/c1-13(14-3-5-17(6-4-14)26-8-7-24-12-26)25-21(27)18-10-15-9-16(23)11-19(29-2)20(15)30-22(18)28/h3-13H,1-2H3,(H,25,27)
InChIKey
BEMDDOOHBKGAGS-UHFFFAOYSA-N
Synonyms

6bromoN(1(4(1Himidazol1yl)phenyl)ethyl)8methoxy2oxo2Hchromene3carboxamide
6BROMON(1(4IMIDAZOL1YLPHENYL)ETHYL)8METHOXY2OXOCHROMENE3CARBOXAMIDE
CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC4=CC(=CC(=C4OC3=O)OC)Br
InChI=1SC22H18BrN3O4c113(143517(6414)2687241226)2521(27)181015916(23)1119(292)20(15)3022(18)28h313H12H3(H2527)
MFCD06618640
ZINC000012401881
ZINC000012401882

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.