Vitas-M small molecule compound
methyl 4-(5-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}furan-2-yl)benzoate
Catalog ID
STL387368
SMILES COC(=O)c1ccc(cc1)c1ccc(o1)/C=N/N1C(=O)C2C(C1=O)C1CCC2C=C1
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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 C23H20N2O5 MW 404.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O5/c1-29-23(28)16-8-2-13(3-9-16)18-11-10-17(30-18)12-24-25-21(26)19-14-4-5-15(7-6-14)20(19)22(25)27/h2-5,8-12,14-15,19-20H,6-7H2,1H3/b24-12+InChIKey
QKTIJZULWBDZDZ-WYMPLXKRSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NN3C(=O)C4C5CCC(C4C3=O)C=C5
COC(=O)c1ccc(cc1)c1ccc(o1)C=NN1C(=O)C2C(C1=O)C1CCC2C=C1
InChI=1SC23H20N2O5c12923(28)168213(3916)18111017(3018)12242521(26)19144515(7614)20(19)22(25)27h2581214151920H67H21H3b2412+
methyl4(5((E)((13dioxo133a477ahexahydro2H47ethanoisoindol2yl)imino)methyl)furan2yl)benzoate
MFCD01053534
ZINC000100175708
ZINC000101078710
Check stock
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Check stock on Vitas-MAvailable files
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