Vitas-M small molecule compound
6-{(2E)-6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-6-oxohex-2-en-1-yl}-7-hydroxy-5-methoxy-4-methyl-2-benzofuran-1(3H)-one
Catalog ID
STL520447
SMILES COc1c(C/C=C(/CCC(=O)N2CCC(CC2)(O)c2ccc(cc2)Cl)\C)c(O)c2c(c1C)COC2=O
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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 C28H32ClNO6 MW 514.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32ClNO6/c1-17(4-10-21-25(32)24-22(16-36-27(24)33)18(2)26(21)35-3)5-11-23(31)30-14-12-28(34,13-15-30)19-6-8-20(29)9-7-19/h4,6-9,32,34H,5,10-16H2,1-3H3/b17-4+InChIKey
LSTKVCZWIOOMQA-HAVNEIBRSA-NSynonyms
1282459-75-9(E)6(6(4(4CHLOROPHENYL)4HYDROXYPIPERIDIN1YL)3METHYL6OXOHEX2EN1YL)7HYDROXY5METHOXY4METHYLISOBENZOFURAN1(3H)ONE
1282459759
52905530
6((~(E))6(4(4chlorophenyl)4hydroxypiperidin1yl)3methyl6oxohex2enyl)7hydroxy5methoxy4methyl3~(H)2benzofuran1one
6((2E)6(4(4chlorophenyl)4hydroxypiperidin1yl)3methyl6oxohex2en1yl)7hydroxy5methoxy4methyl2benzofuran1(3H)one
COc1c(CC=C(CCC(=O)N2CCC(CC2)(O)c2ccc(cc2)Cl)C)c(O)c2c(c1C)COC2=O
InChI=1SC28H32ClNO6c117(4102125(32)2422(163627(24)33)18(2)26(21)353)51123(31)30141228(34131530)196820(29)9719h4693234H51016H213H3b174+
MFCD18791116
ZINC000062001744
ZINC62001744
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