Vitas-M small molecule compound

pentyl 4-(4,5,6,7-tetrabromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate

Catalog ID
STK268155
SMILES CCCCCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)c(Br)c(c(c2Br)Br)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 C20H15Br4NO4 MW 652.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15Br4NO4/c1-2-3-4-9-29-20(28)10-5-7-11(8-6-10)25-18(26)12-13(19(25)27)15(22)17(24)16(23)14(12)21/h5-8H,2-4,9H2,1H3
InChIKey
VRVQBMYHEKXYEV-UHFFFAOYSA-N
Synonyms

CCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=C(C(=C3Br)Br)Br)Br
InChI=1SC20H15Br4NO4c123492920(28)105711(8610)2518(26)1213(19(25)27)15(22)17(24)16(23)14(12)21h58H249H21H3
MFCD01062811
pentyl4(4567tetrabromo13dioxo13dihydro2Hisoindol2yl)benzoate
pentyl4(4567tetrabromo13dioxoisoindol2yl)benzoate
ZINC000008449020
ZINC08449020
ZINC8449020

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Available files

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