Vitas-M small molecule compound
methyl 3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)propanoate
Catalog ID
STL548726
SMILES COC(=O)CC(c1oc(CN2CCN(CC2)c2ccc(cc2)OC)cc(=O)c1O)c1ccc(c(c1)OC)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 C28H32N2O8 MW 524.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O8/c1-35-20-7-5-19(6-8-20)30-12-10-29(11-13-30)17-21-15-24(32)27(34)28(38-21)22(16-26(33)37-3)18-4-9-23(31)25(14-18)36-2/h4-9,14-15,22,31,34H,10-13,16-17H2,1-3H3InChIKey
AAPPMNMBLBDLJH-UHFFFAOYSA-NSynonyms
110206166
InChI=1SC28H32N2O8c135207519(6820)30121029(111330)17211524(32)27(34)28(3821)22(1626(33)373)184923(31)25(1418)362h491415223134H10131617H213H3
methyl3(4hydroxy3methoxyphenyl)3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxo4Hpyran2yl)propanoate
methyl3(4hydroxy3methoxyphenyl)3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxopyran2yl)propanoate
MFCD29055565
ZINC000253394233
ZINC000253394241
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