Vitas-M small molecule compound
5-(furan-2-yl)-2-[({2-[4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione
Catalog ID
STK261677
SMILES O=C1CC(CC(=O)/C/1=C\NCCN1CCN(CC1)C1OC(=O)c2c1cccc2)c1ccco1
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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 C25H27N3O5 MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O5/c29-21-14-17(23-6-3-13-32-23)15-22(30)20(21)16-26-7-8-27-9-11-28(12-10-27)24-18-4-1-2-5-19(18)25(31)33-24/h1-6,13,16-17,24,26H,7-12,14-15H2/b20-16-InChIKey
GVCULQOOIRDWHS-SILNSSARSA-NSynonyms
5(furan2yl)2(((2(4(3oxo13dihydro2benzofuran1yl)piperazin1yl)ethyl)amino)methylidene)cyclohexane13dione
5(furan2yl)2(((2(4(3oxo13dihydroisobenzofuran1yl)piperazin1yl)ethyl)amino)methylene)cyclohexane13dione
MFCD03778799
O=C1CC(CC(=O)C1=CNCCN1CCN(CC1)C1OC(=O)c2c1cccc2)c1ccco1
ZINC000100429843
ZINC000100429845
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