Vitas-M small molecule compound

3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid

Catalog ID
STK247517
SMILES CC(C(N1C(=O)c2c(C1=O)c(Cl)c(c(c2Cl)Cl)Cl)C(=O)O)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 C13H9Cl4NO4 MW 385.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9Cl4NO4/c1-3(2)10(13(21)22)18-11(19)4-5(12(18)20)7(15)9(17)8(16)6(4)14/h3,10H,1-2H3,(H,21,22)
InChIKey
KPBIRKYPIXGNJM-UHFFFAOYSA-N
Synonyms
69926-17-6
3methyl2(4567tetrachloro13dioxo13dihydro2Hisoindol2yl)butanoicacid
3methyl2(4567tetrachloro13dioxoisoindol2yl)butanoicacid
69926176
CC(C)C(C(=O)O)N1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl
InChI=1SC13H9Cl4NO4c13(2)10(13(21)22)1811(19)45(12(18)20)7(15)9(17)8(16)6(4)14h310H12H3(H2122)
MFCD01174781
ZINC000000802413
ZINC000002591193

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Available files

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