Vitas-M small molecule compound

4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid

Catalog ID
STK021561
SMILES CC1=CCC2C(C1)C(=O)N(C2=O)c1ccc(cc1)C(=O)O

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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 C16H15NO4 MW 285.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15NO4/c1-9-2-7-12-13(8-9)15(19)17(14(12)18)11-5-3-10(4-6-11)16(20)21/h2-6,12-13H,7-8H2,1H3,(H,20,21)
InChIKey
CMEDBZOQPCCFKM-UHFFFAOYSA-N
Synonyms
424815-42-9
4(5METHYL13DIOXO133A477AHEXAHYDRO2HISOINDOL2YL)BENZOICACID
4(5METHYL13DIOXO133A477AHEXAHYDROISOINDOL2YL)BENZOICACID
4(5METHYL13DIOXO3A477ATETRAHYDROISOINDOL2YL)BENZOICACID
424815429
CC1=CCC2C(C1)C(=O)N(C2=O)c1ccc(cc1)C(=O)O
CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O
InChI=1SC16H15NO4c19271213(89)15(19)17(14(12)18)115310(4611)16(20)21h261213H78H21H3(H2021)
MFCD00523294
STK021561
ZINC000000904315
ZINC000100149584

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Available files

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