Vitas-M small molecule compound

1-[(1E)-1-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]pyridin-2(1H)-one

Catalog ID
STK127711
SMILES COc1cc(ccc1OC)/C=C(/n1ccccc1=O)\C(=O)N1CCN(CC1)C

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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 C21H25N3O4 MW 383.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O4/c1-22-10-12-23(13-11-22)21(26)17(24-9-5-4-6-20(24)25)14-16-7-8-18(27-2)19(15-16)28-3/h4-9,14-15H,10-13H2,1-3H3/b17-14+
InChIKey
CWKWMELAJIRDMY-SAPNQHFASA-N
Synonyms
1((1E)1(34DIMETHOXYPHENYL)3(4METHYLPIPERAZIN1YL)3OXOPROP1EN2YL)PYRIDIN2(1H)ONE
1((E)1(34DIMETHOXYPHENYL)3(4METHYLPIPERAZIN1YL)3OXOPROP1EN2YL)PYRIDIN2ONE
CN1CCN(CC1)C(=O)C(=CC2=CC(=C(C=C2)OC)OC)N3C=CC=CC3=O
COc1cc(ccc1OC)C=C(n1ccccc1=O)C(=O)N1CCN(CC1)C
Registry IDs
MFCD06011455
ZINC000012631097
ZINC12631097

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Available files

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