Vitas-M small molecule compound
5-(4-methoxyphenyl)-2-[({2-[4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione
Catalog ID
STK149869
SMILES COc1ccc(cc1)C1CC(=O)/C(=C/NCCN2CCN(CC2)C2OC(=O)c3c2cccc3)/C(=O)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 C28H31N3O5 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O5/c1-35-21-8-6-19(7-9-21)20-16-25(32)24(26(33)17-20)18-29-10-11-30-12-14-31(15-13-30)27-22-4-2-3-5-23(22)28(34)36-27/h2-9,18,20,27,29H,10-17H2,1H3/b24-18-InChIKey
ZQQMDYZQAUEONW-MOHJPFBDSA-NSynonyms
5(4methoxyphenyl)2(((2(4(3oxo13dihydro2benzofuran1yl)piperazin1yl)ethyl)amino)methylidene)cyclohexane13dione
5(4methoxyphenyl)2(((2(4(3oxo13dihydroisobenzofuran1yl)piperazin1yl)ethyl)amino)methylene)cyclohexane13dione
COc1ccc(cc1)C1CC(=O)C(=CNCCN2CCN(CC2)C2OC(=O)c3c2cccc3)C(=O)C1
MFCD03778802
ZINC000100429849
ZINC000100429852
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