Vitas-M small molecule compound
methyl 3-(3-hydroxy-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)-3-(naphthalen-1-yl)propanoate
Catalog ID
STL492411
SMILES COC(=O)CC(c1cccc2c1cccc2)c1oc(CN2CCN(CC2)c2ccc(cc2)OC)cc(=O)c1O
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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 C31H32N2O6 MW 528.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O6/c1-37-23-12-10-22(11-13-23)33-16-14-32(15-17-33)20-24-18-28(34)30(36)31(39-24)27(19-29(35)38-2)26-9-5-7-21-6-3-4-8-25(21)26/h3-13,18,27,36H,14-17,19-20H2,1-2H3InChIKey
WDWFQRFQOAHRKL-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=O)C(=C(O3)C(CC(=O)OC)C4=CC=CC5=CC=CC=C54)O
InChI=1SC31H32N2O6c13723121022(111323)33161432(151733)20241828(34)30(36)31(3924)27(1929(35)382)2695721634825(21)26h313182736H14171920H212H3
methyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxo4Hpyran2yl)3(naphthalen1yl)propanoate
methyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxopyran2yl)3naphthalen1ylpropanoate
MFCD29058336
ZINC000253413992
ZINC000253413993
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