Vitas-M small molecule compound
methyl 4-{[2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoyl]amino}benzoate
Catalog ID
STK387163
SMILES COC(=O)c1ccc(cc1)NC(=O)C(N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)C
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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 C22H22N2O5 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5/c1-10(19(25)23-12-5-3-11(4-6-12)22(28)29-2)24-20(26)17-13-7-8-14(16-9-15(13)16)18(17)21(24)27/h3-8,10,13-18H,9H2,1-2H3,(H,23,25)InChIKey
HNYUXDBBGQZRQY-UHFFFAOYSA-NSynonyms
CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5
InChI=1SC22H22N2O5c110(19(25)23125311(4612)22(28)292)2420(26)17137814(16915(13)16)18(17)21(24)27h38101318H9H212H3(H2325)
methyl4((2(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)propanoyl)amino)benzoate
MFCD02916098
ZINC000239090982
ZINC000239090985
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.