Vitas-M small molecule compound
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3(2H)-one
Catalog ID
STK935126
SMILES COc1ccc(cc1OC)c1ccc(=O)n(n1)CC(=O)c1ccc2c(c1)OCCCO2
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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 C23H22N2O6 MW 422.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O6/c1-28-19-7-4-15(12-21(19)29-2)17-6-9-23(27)25(24-17)14-18(26)16-5-8-20-22(13-16)31-11-3-10-30-20/h4-9,12-13H,3,10-11,14H2,1-2H3InChIKey
LXBADDZNGPZTBE-UHFFFAOYSA-NSynonyms
1219559-01-91219559019
2(2(34dihydro2H15benzodioxepin7yl)2oxoethyl)6(34dimethoxyphenyl)pyridazin3(2H)one
2(2(34dihydro2H15benzodioxepin7yl)2oxoethyl)6(34dimethoxyphenyl)pyridazin3one
2(2(34dihydro2Hbenzo(b)(14)dioxepin7yl)2oxoethyl)6(34dimethoxyphenyl)pyridazin3(2H)one
COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)C3=CC4=C(C=C3)OCCCO4)OC
InChI=1SC23H22N2O6c128197415(1221(19)292)176923(27)25(2417)1418(26)16582022(1316)31113103020h491213H3101114H212H3
MFCD16624118
ZINC000040267731
ZINC40267731
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