Vitas-M small molecule compound

methyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate

Catalog ID
STK247660
SMILES COC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1CC2C=C1

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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 C17H15NO4 MW 297.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15NO4/c1-22-17(21)11-3-2-4-12(8-11)18-15(19)13-9-5-6-10(7-9)14(13)16(18)20/h2-6,8-10,13-14H,7H2,1H3
InChIKey
PFOACYGMRWIPIR-UHFFFAOYSA-N
Synonyms
455279-14-8
455279148
COC(=O)C1=CC(=CC=C1)N2C(=O)C3C4CC(C3C2=O)C=C4
InChI=1SC17H15NO4c12217(21)1132412(811)1815(19)1395610(79)14(13)16(18)20h268101314H7H21H3
METHYL3((3AR4S7S7AS)13DIOXO133A477AHEXAHYDRO2H47METHANOISOINDOL2YL)BENZOATE
methyl3(13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
MFCD01122759
ZINC000100178728
ZINC000100842444

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Available files

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