Vitas-M small molecule compound

4-bromo-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid

Catalog ID
STK676632
SMILES OC(=O)c1ccc(c(c1)N1C(=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 C15H12BrNO4 MW 350.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12BrNO4/c16-11-6-5-8(15(20)21)7-12(11)17-13(18)9-3-1-2-4-10(9)14(17)19/h1-2,5-7,9-10H,3-4H2,(H,20,21)
InChIKey
JZIPZDADEZRTHY-UHFFFAOYSA-N
Synonyms

3(13DIOXO(473A7ATETRAHYDROISOINDOL2YL))4BROMOBENZOICACID
4bromo3(13dioxo133a477ahexahydro2Hisoindol2yl)benzoicacid
4BROMO3(13DIOXO3A477ATETRAHYDROISOINDOL2YL)BENZOICACID
C1C=CCC2C1C(=O)N(C2=O)C3=C(C=CC(=C3)C(=O)O)Br
InChI=1SC15H12BrNO4c1611658(15(20)21)712(11)1713(18)9312410(9)14(17)19h1257910H34H2(H2021)
MFCD01576778
ZINC000000032555
ZINC000100093181

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Available files

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