Vitas-M small molecule compound
1-[(1Z)-3-(azepan-1-yl)-1-(3,5-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2(1H)-one
Catalog ID
STK056984
SMILES COc1cc(cc(c1)OC)/C=C(\n1ccccc1=O)/C(=O)N1CCCCCC1
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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 C22H26N2O4 MW 382.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O4/c1-27-18-13-17(14-19(16-18)28-2)15-20(24-12-8-5-9-21(24)25)22(26)23-10-6-3-4-7-11-23/h5,8-9,12-16H,3-4,6-7,10-11H2,1-2H3/b20-15-InChIKey
PMCWQCVHMXAIOL-HKWRFOASSA-NSynonyms
1((1Z)3(AZEPAN1YL)1(35DIMETHOXYPHENYL)3OXOPROP1EN2YL)PYRIDIN2(1H)ONE
1((Z)3(azepan1yl)1(35dimethoxyphenyl)3oxoprop1en2yl)pyridin2one
COC1=CC(=CC(=C1)C=C(C(=O)N2CCCCCC2)N3C=CC=CC3=O)OC
COc1cc(cc(c1)OC)C=C(n1ccccc1=O)C(=O)N1CCCCCC1
InChI=1SC22H26N2O4c127181317(1419(1618)282)1520(241285921(24)25)22(26)231063471123h5891216H34671011H212H3b2015
MFCD09267186
STK056984
ZINC000009514120
ZINC09514120
ZINC9514120
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