Vitas-M small molecule compound
ethyl 3-(5-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}furan-2-yl)benzoate
Catalog ID
STL417801
SMILES CCOC(=O)c1cccc(c1)c1ccc(o1)/C=N/N1C(=O)C2C(C1=O)C1CC2C=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/c1-2-29-23(28)16-5-3-4-13(10-16)18-9-8-17(30-18)12-24-25-21(26)19-14-6-7-15(11-14)20(19)22(25)27/h3-10,12,14-15,19-20H,2,11H2,1H3/b24-12+InChIKey
NAAKTBXIAPGVJR-WYMPLXKRSA-NSynonyms
CCOC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=NN3C(=O)C4C5CC(C4C3=O)C=C5
CCOC(=O)c1cccc(c1)c1ccc(o1)C=NN1C(=O)C2C(C1=O)C1CC2C=C1
ethyl3(5((E)((13dioxo133a477ahexahydro2H47methanoisoindol2yl)imino)methyl)furan2yl)benzoate
InChI=1SC23H20N2O5c122923(28)1653413(1016)189817(3018)12242521(26)19146715(1114)20(19)22(25)27h3101214151920H211H21H3b2412+
MFCD01142271
ZINC000101021307
ZINC000107916262
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