Vitas-M small molecule compound
5,7-dimethoxy-6-{(2E)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-6-oxohex-2-en-1-yl}-4-methyl-2-benzofuran-1(3H)-one
Catalog ID
STL520307
SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CC/C(=C/Cc1c(OC)c(C)c2c(c1OC)C(=O)OC2)/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 C29H36N2O6 MW 508.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O6/c1-19(6-12-23-27(35-4)20(2)24-18-37-29(33)26(24)28(23)36-5)7-13-25(32)31-16-14-30(15-17-31)21-8-10-22(34-3)11-9-21/h6,8-11H,7,12-18H2,1-5H3/b19-6+InChIKey
AJFIQMOTCUBOCY-KPSZGOFPSA-NSynonyms
1282459-96-4(E)57DIMETHOXY6(6(4(4METHOXYPHENYL)PIPERAZIN1YL)3METHYL6OXOHEX2EN1YL)4METHYLISOBENZOFURAN1(3H)ONE
1282459964
52905478
57dimethoxy6((~(E))6(4(4methoxyphenyl)piperazin1yl)3methyl6oxohex2enyl)4methyl3~(H)2benzofuran1one
57dimethoxy6((2E)6(4(4methoxyphenyl)piperazin1yl)3methyl6oxohex2en1yl)4methyl2benzofuran1(3H)one
COc1ccc(cc1)N1CCN(CC1)C(=O)CCC(=CCc1c(OC)c(C)c2c(c1OC)C(=O)OC2)C
InChI=1SC29H36N2O6c119(6122327(354)20(2)24183729(33)26(24)28(23)365)71325(32)31161430(151731)2181022(343)11921h6811H71218H215H3b196+
MFCD18791068
ZINC000062001694
ZINC62001694
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