Vitas-M small molecule compound

N-(2,5-dimethylphenyl)-3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanamide

Catalog ID
STK253813
SMILES O=C(Nc1cc(C)ccc1C)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 C22H24N2O3 MW 364.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O3/c1-11-3-4-12(2)17(9-11)23-18(25)7-8-24-21(26)19-13-5-6-14(16-10-15(13)16)20(19)22(24)27/h3-6,9,13-16,19-20H,7-8,10H2,1-2H3,(H,23,25)
InChIKey
QRJMXOZJNLNEDV-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(C=C1)C)NC(=O)CCN2C(=O)C3C4C=CC(C3C2=O)C5C4C5
InChI=1SC22H24N2O3c1113412(2)17(911)2318(25)782421(26)19135614(161015(13)16)20(19)22(24)27h36913161920H7810H212H3(H2325)
MFCD03037723
N(25dimethylphenyl)3(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)propanamide
ZINC000239175826
ZINC000239175829

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Available files

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