Vitas-M small molecule compound
methyl 3-(3-hydroxy-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate
Catalog ID
STL545970
SMILES COC(=O)CC(c1oc(CN2CCN(CC2)c2ccc(cc2)OC)cc(=O)c1O)c1cc(OC)c2c(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 C29H32N2O9 MW 552.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O9/c1-35-20-6-4-19(5-7-20)31-10-8-30(9-11-31)16-21-14-23(32)27(34)28(40-21)22(15-26(33)37-3)18-12-24(36-2)29-25(13-18)38-17-39-29/h4-7,12-14,22,34H,8-11,15-17H2,1-3H3InChIKey
WOPGMISEYPKDDF-UHFFFAOYSA-NSynonyms
110207805
InChI=1SC29H32N2O9c135206419(5720)3110830(91131)16211423(32)27(34)28(4021)22(1526(33)373)181224(362)2925(1318)38173929h4712142234H8111517H213H3
methyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxo4Hpyran2yl)3(7methoxy13benzodioxol5yl)propanoate
METHYL3(3HYDROXY6((4(4METHOXYPHENYL)PIPERAZIN1YL)METHYL)4OXO4HPYRAN2YL)3(7METHOXYBENZO(D)(13)DIOXOL5YL)PROPANOATE
methyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxopyran2yl)3(7methoxy13benzodioxol5yl)propanoate
MFCD29056320
ZINC000253414132
ZINC000253414133
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