Vitas-M small molecule compound

butyl 3-{[(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoate

Catalog ID
STK371544
SMILES CCCCOC(=O)c1cccc(c1)NCN1C(=O)c2c(C1=O)cc(cc2)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 C20H19BrN2O4 MW 431.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN2O4/c1-2-3-9-27-20(26)13-5-4-6-15(10-13)22-12-23-18(24)16-8-7-14(21)11-17(16)19(23)25/h4-8,10-11,22H,2-3,9,12H2,1H3
InChIKey
QLHCQIMEDHRSST-UHFFFAOYSA-N
Synonyms

butyl3(((5bromo13dioxo13dihydro2Hisoindol2yl)methyl)amino)benzoate
BUTYL3(((5BROMO13DIOXOBENZO(C)AZOLIN2YL)METHYL)AMINO)BENZOATE
BUTYL3((5BROMO13DIOXOISOINDOL2YL)METHYLAMINO)BENZOATE
CCCCOC(=O)C1=CC(=CC=C1)NCN2C(=O)C3=C(C2=O)C=C(C=C3)Br
InChI=1SC20H19BrN2O4c12392720(26)1354615(1013)22122318(24)168714(21)1117(16)19(23)25h48101122H23912H21H3
MFCD00355763
ZINC000004043354
ZINC04043354
ZINC4043354

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Available files

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