Vitas-M small molecule compound
methyl 3-(3-hydroxy-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)-3-phenylpropanoate
Catalog ID
STL494211
SMILES COC(=O)CC(c1oc(CN2CCN(CC2)c2ccc(cc2)OC)cc(=O)c1O)c1ccccc1
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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 C27H30N2O6 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O6/c1-33-21-10-8-20(9-11-21)29-14-12-28(13-15-29)18-22-16-24(30)26(32)27(35-22)23(17-25(31)34-2)19-6-4-3-5-7-19/h3-11,16,23,32H,12-15,17-18H2,1-2H3InChIKey
LATQHMWJJOSSSR-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=O)C(=C(O3)C(CC(=O)OC)C4=CC=CC=C4)O
InChI=1SC27H30N2O6c1332110820(91121)29141228(131529)18221624(30)26(32)27(3522)23(1725(31)342)196435719h311162332H12151718H212H3
methyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxo4Hpyran2yl)3phenylpropanoate
methyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxopyran2yl)3phenylpropanoate
MFCD29058177
ZINC000253408756
ZINC000253408758
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