Vitas-M small molecule compound
methyl 3-(3-hydroxy-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)-3-{4-[(2-methylprop-2-en-1-yl)oxy]phenyl}propanoate
Catalog ID
STL545873
SMILES COC(=O)CC(c1oc(CN2CCN(CC2)c2ccc(cc2)OC)cc(=O)c1O)c1ccc(cc1)OCC(=C)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 C31H36N2O7 MW 548.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N2O7/c1-21(2)20-39-25-9-5-22(6-10-25)27(18-29(35)38-4)31-30(36)28(34)17-26(40-31)19-32-13-15-33(16-14-32)23-7-11-24(37-3)12-8-23/h5-12,17,27,36H,1,13-16,18-20H2,2-4H3InChIKey
GLSMXRIZBKGBBA-UHFFFAOYSA-NSynonyms
110208077
InChI=1SC31H36N2O7c121(2)2039259522(61025)27(1829(35)384)3130(36)28(34)1726(4031)1932131533(161432)2371124(373)12823h512172736H113161820H224H3
METHYL3(3HYDROXY6((4(4METHOXYPHENYL)PIPERAZIN1YL)METHYL)4OXO4HPYRAN2YL)3(4((2METHYLALLYL)OXY)PHENYL)PROPANOATE
methyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxo4Hpyran2yl)3(4((2methylprop2en1yl)oxy)phenyl)propanoate
methyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxopyran2yl)3(4(2methylprop2enoxy)phenyl)propanoate
MFCD29056451
ZINC000253402522
ZINC000253402524
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