Vitas-M small molecule compound
1-{(1E)-1-(3,4-dimethoxyphenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxoprop-1-en-2-yl}pyridin-2(1H)-one
Catalog ID
STK127091
SMILES COc1cc(ccc1OC)/C=C(/n1ccccc1=O)\C(=O)N1CCN(CC1)c1cccc(c1C)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 C28H31N3O4 MW 473.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O4/c1-20-8-7-9-23(21(20)2)29-14-16-30(17-15-29)28(33)24(31-13-6-5-10-27(31)32)18-22-11-12-25(34-3)26(19-22)35-4/h5-13,18-19H,14-17H2,1-4H3/b24-18+InChIKey
DDSMMZBIXJHPQR-HKOYGPOVSA-NSynonyms
1((1E)1(34DIMETHOXYPHENYL)3(4(23DIMETHYLPHENYL)PIPERAZIN1YL)3OXOPROP1EN2YL)PYRIDIN2(1H)ONE
1((E)1(34dimethoxyphenyl)3(4(23dimethylphenyl)piperazin1yl)3oxoprop1en2yl)pyridin2one
CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(=CC3=CC(=C(C=C3)OC)OC)N4C=CC=CC4=O)C
COc1cc(ccc1OC)C=C(n1ccccc1=O)C(=O)N1CCN(CC1)c1cccc(c1C)C
InChI=1SC28H31N3O4c12087923(21(20)2)29141630(171529)28(33)24(3113651027(31)32)1822111225(343)26(1922)354h5131819H1417H214H3b2418+
MFCD08675983
ZINC000009849385
ZINC09849385
ZINC9849385
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