Vitas-M small molecule compound

propyl 4-{[2-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoyl]amino}benzoate

Catalog ID
STK274729
SMILES CCCOC(=O)c1ccc(cc1)NC(=O)C(N1C(=O)C2C(C1=O)C1CC2C(C1Br)Br)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 C22H24Br2N2O5 MW 556.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24Br2N2O5/c1-3-8-31-22(30)11-4-6-12(7-5-11)25-19(27)10(2)26-20(28)15-13-9-14(16(15)21(26)29)18(24)17(13)23/h4-7,10,13-18H,3,8-9H2,1-2H3,(H,25,27)
InChIKey
HMNAADQFLXZUOG-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)N2C(=O)C3C4CC(C3C2=O)C(C4Br)Br
InChI=1SC22H24Br2N2O5c1383122(30)114612(7511)2519(27)10(2)2620(28)1513914(16(15)21(26)29)18(24)17(13)23h47101318H389H212H3(H2527)
MFCD03163178
propyl4((2(56dibromo13dioxooctahydro2H47methanoisoindol2yl)propanoyl)amino)benzoate
ZINC000239090939
ZINC000239090942

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Available files

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