Vitas-M small molecule compound

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

Catalog ID
STK253094
SMILES O=C(Nc1c(C)cccc1C)CN1C(=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/c1-10-4-3-5-11(2)19(10)22-16(24)9-23-20(25)17-12-6-7-13(15-8-14(12)15)18(17)21(23)26/h3-7,12-15,17-18H,8-9H2,1-2H3,(H,22,24)
InChIKey
UKPDNAJAMSQXGW-UHFFFAOYSA-N
Synonyms

CC1=C(C(=CC=C1)C)NC(=O)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C5
InChI=1SC21H22N2O3c11043511(2)19(10)2216(24)92320(25)17126713(15814(12)15)18(17)21(23)26h3712151718H89H212H3(H2224)
MFCD02916127
N(26dimethylphenyl)2(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)acetamide
ZINC000239222135
ZINC000239222138

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Available files

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