Vitas-M small molecule compound

N-benzyl-3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanamide

Catalog ID
STK383070
SMILES O=C(NCc1ccccc1)CCN1C(=O)C2C(C1=O)C1C=CC2C2C1C2

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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 C21H22N2O3 MW 350.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3/c24-17(22-11-12-4-2-1-3-5-12)8-9-23-20(25)18-13-6-7-14(16-10-15(13)16)19(18)21(23)26/h1-7,13-16,18-19H,8-11H2,(H,22,24)
InChIKey
RSCGGEJUXVCNAR-UHFFFAOYSA-N
Synonyms

C1C2C1C3C=CC2C4C3C(=O)N(C4=O)CCC(=O)NCC5=CC=CC=C5
InChI=1SC21H22N2O3c2417(2211124213512)892320(25)18136714(161015(13)16)19(18)21(23)26h1713161819H811H2(H2224)
MFCD03103924
Nbenzyl3(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)propanamide
ZINC000239403288
ZINC000239403291

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Available files

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