Vitas-M small molecule compound

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

Catalog ID
STK275070
SMILES CC(COC(=O)c1ccc(cc1)NC(=O)CN1C(=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/c1-10(2)9-31-22(30)11-3-5-12(6-4-11)25-15(27)8-26-20(28)16-13-7-14(17(16)21(26)29)19(24)18(13)23/h3-6,10,13-14,16-19H,7-9H2,1-2H3,(H,25,27)
InChIKey
GYWXSICAJPQQMS-UHFFFAOYSA-N
Synonyms

2methylpropyl4(((56dibromo13dioxooctahydro2H47methanoisoindol2yl)acetyl)amino)benzoate
CC(C)COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3C4CC(C3C2=O)C(C4Br)Br
InChI=1SC22H24Br2N2O5c110(2)93122(30)113512(6411)2515(27)82620(28)1613714(17(16)21(26)29)19(24)18(13)23h361013141619H79H212H3(H2527)
MFCD03185638
ZINC000239308786
ZINC000239308789

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Available files

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