Vitas-M small molecule compound
ethyl 3-(5-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)imino]methyl}furan-2-yl)benzoate
Catalog ID
STK264426
SMILES CCOC(=O)c1cccc(c1)c1ccc(o1)/C=N/N1C(=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 C25H22N2O5 MW 430.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O5/c1-2-31-25(30)14-5-3-4-13(10-14)20-9-6-15(32-20)12-26-27-23(28)21-16-7-8-17(19-11-18(16)19)22(21)24(27)29/h3-10,12,16-19,21-22H,2,11H2,1H3/b26-12+InChIKey
QTJFLUOEJMVMBX-RPPGKUMJSA-NSynonyms
CCOC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=NN3C(=O)C4C5C=CC(C4C3=O)C6C5C6
CCOC(=O)c1cccc(c1)c1ccc(o1)C=NN1C(=O)C2C(C1=O)C1C=CC2C2C1C2
ethyl3(5(((13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)imino)methyl)furan2yl)benzoate
InChI=1SC25H22N2O5c123125(30)1453413(1014)209615(3220)12262723(28)21167817(191118(16)19)22(21)24(27)29h3101216192122H211H21H3b2612+
MFCD01142213
ZINC000245226890
ZINC000245226893
ZINC000252394548
ZINC000252394551
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