Vitas-M small molecule compound
methyl 3-(1,3-benzodioxol-5-yl)-3-(3-hydroxy-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)propanoate
Catalog ID
STL547522
SMILES COC(=O)CC(c1oc(CN2CCN(CC2)c2ccc(cc2)OC)cc(=O)c1O)c1ccc2c(c1)OCO2
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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 C28H30N2O8 MW 522.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O8/c1-34-20-6-4-19(5-7-20)30-11-9-29(10-12-30)16-21-14-23(31)27(33)28(38-21)22(15-26(32)35-2)18-3-8-24-25(13-18)37-17-36-24/h3-8,13-14,22,33H,9-12,15-17H2,1-2H3InChIKey
GVRGSTMHJXZKPT-UHFFFAOYSA-NSynonyms
110207001
InChI=1SC28H30N2O8c134206419(5720)3011929(101230)16211423(31)27(33)28(3821)22(1526(32)352)18382425(1318)37173624h3813142233H9121517H212H3
methyl3(13benzodioxol5yl)3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxo4Hpyran2yl)propanoate
methyl3(13benzodioxol5yl)3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxopyran2yl)propanoate
METHYL3(BENZO(D)(13)DIOXOL5YL)3(3HYDROXY6((4(4METHOXYPHENYL)PIPERAZIN1YL)METHYL)4OXO4HPYRAN2YL)PROPANOATE
MFCD29055952
ZINC000253402988
ZINC000253402990
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