Vitas-M small molecule compound
methyl 4-{[3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoyl]amino}benzoate
Catalog ID
STK253605
SMILES COC(=O)c1ccc(cc1)NC(=O)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 C22H22N2O5 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5/c1-29-22(28)11-2-4-12(5-3-11)23-17(25)8-9-24-20(26)18-13-6-7-14(16-10-15(13)16)19(18)21(24)27/h2-7,13-16,18-19H,8-10H2,1H3,(H,23,25)InChIKey
AQPLUTVSMJHJSW-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3C4C=CC(C3C2=O)C5C4C5
InChI=1SC22H22N2O5c12922(28)112412(5311)2317(25)892420(26)18136714(161015(13)16)19(18)21(24)27h2713161819H810H21H3(H2325)
methyl4((3(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)propanoyl)amino)benzoate
MFCD03037726
ZINC000239274750
ZINC000239274753
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.