Vitas-M small molecule compound
ethyl 3-(5-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropan]-2-yl)imino]methyl}furan-2-yl)benzoate
Catalog ID
STL387722
SMILES CCOC(=O)c1cccc(c1)c1ccc(o1)/C=N/N1C(=O)C2C(C1=O)C1C3(C2C=C1)CC3
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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/c1-2-31-24(30)15-5-3-4-14(12-15)19-9-6-16(32-19)13-26-27-22(28)20-17-7-8-18(21(20)23(27)29)25(17)10-11-25/h3-9,12-13,17-18,20-21H,2,10-11H2,1H3/b26-13+InChIKey
CRJYRHAZWRGJTN-LGJNPRDNSA-NSynonyms
CCOC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=NN3C(=O)C4C5C=CC(C4C3=O)C56CC6
CCOC(=O)c1cccc(c1)c1ccc(o1)C=NN1C(=O)C2C(C1=O)C1C3(C2C=C1)CC3
ethyl3(5((E)((13dioxo133a477ahexahydro2Hspiro(2aza47methanoisoindole81cyclopropan)2yl)imino)methyl)furan2yl)benzoate
InChI=1SC25H22N2O5c123124(30)1553414(1215)199616(3219)13262722(28)20177818(21(20)23(27)29)25(17)101125h39121317182021H21011H21H3b2613+
MFCD02623567
ZINC000106361202
ZINC000107916441
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