Vitas-M small molecule compound
6-{(2E)-6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-6-oxohex-2-en-1-yl}-5,7-dimethoxy-4-methyl-2-benzofuran-1(3H)-one
Catalog ID
STL522386
SMILES COc1c(C/C=C(/CCC(=O)N2CCC(CC2)(O)c2ccc(cc2)Cl)\C)c(OC)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 C29H34ClNO6 MW 528.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34ClNO6/c1-18(5-11-22-26(35-3)19(2)23-17-37-28(33)25(23)27(22)36-4)6-12-24(32)31-15-13-29(34,14-16-31)20-7-9-21(30)10-8-20/h5,7-10,34H,6,11-17H2,1-4H3/b18-5+InChIKey
LTBMNEPTJFEQBE-BLLMUTORSA-NSynonyms
1630907-64-0(E)6(6(4(4CHLOROPHENYL)4HYDROXYPIPERIDIN1YL)3METHYL6OXOHEX2EN1YL)57DIMETHOXY4METHYLISOBENZOFURAN1(3H)ONE
1630907640
6((~(E))6(4(4chlorophenyl)4hydroxypiperidin1yl)3methyl6oxohex2enyl)57dimethoxy4methyl3~(H)2benzofuran1one
6((2E)6(4(4chlorophenyl)4hydroxypiperidin1yl)3methyl6oxohex2en1yl)57dimethoxy4methyl2benzofuran1(3H)one
91638406
COc1c(CC=C(CCC(=O)N2CCC(CC2)(O)c2ccc(cc2)Cl)C)c(OC)c2c(c1C)COC2=O
InChI=1SC29H34ClNO6c118(5112226(353)19(2)23173728(33)25(23)27(22)364)61224(32)31151329(34141631)207921(30)10820h571034H61117H214H3b185+
MFCD28349992
ZINC000217891839
ZINC217891839
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