Vitas-M small molecule compound

5-(4-methylphenyl)-2-[({2-[4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione

Catalog ID
STK149868
SMILES Cc1ccc(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 C28H31N3O4 MW 473.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O4/c1-19-6-8-20(9-7-19)21-16-25(32)24(26(33)17-21)18-29-10-11-30-12-14-31(15-13-30)27-22-4-2-3-5-23(22)28(34)35-27/h2-9,18,21,27,29H,10-17H2,1H3/b24-18-
InChIKey
FSRMDEMJWBXXNM-MOHJPFBDSA-N
Synonyms

2(((2(4(3oxo13dihydroisobenzofuran1yl)piperazin1yl)ethyl)amino)methylene)5(ptolyl)cyclohexane13dione
5(4methylphenyl)2(((2(4(3oxo13dihydro2benzofuran1yl)piperazin1yl)ethyl)amino)methylidene)cyclohexane13dione
Cc1ccc(cc1)C1CC(=O)C(=CNCCN2CCN(CC2)C2OC(=O)c3c2cccc3)C(=O)C1
MFCD03778800
ZINC000100873811
ZINC000100873815

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.