Vitas-M small molecule compound

propyl 5-(5-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate

Catalog ID
STK761948
SMILES CCCOC(=O)c1cc(ccc1Cl)n1c(=O)c2cccc3c2c(c1=O)cc(c3)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 C22H15BrClNO4 MW 472.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15BrClNO4/c1-2-8-29-22(28)16-11-14(6-7-18(16)24)25-20(26)15-5-3-4-12-9-13(23)10-17(19(12)15)21(25)27/h3-7,9-11H,2,8H2,1H3
InChIKey
QGKPISXDIMIVNN-UHFFFAOYSA-N
Synonyms
309292-59-9
309292599
CCCOC(=O)C1=C(C=CC(=C1)N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)Br)Cl
InChI=1SC22H15BrClNO4c1282922(28)161114(6718(16)24)2520(26)1553412913(23)1017(19(12)15)21(25)27h37911H28H21H3
MFCD01178767
propyl5(5bromo13dioxo1Hbenzo(de)isoquinolin2(3H)yl)2chlorobenzoate
PROPYL5(5BROMO13DIOXOBENZO(DE)ISOQUINOLIN2YL)2CHLOROBENZOATE
ZINC000002741380
ZINC02741380
ZINC2741380

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Available files

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