Vitas-M small molecule compound

methyl 3-cyclohexyl-3-(3-hydroxy-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)propanoate

Catalog ID
STL491571
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 C27H36N2O6 MW 484.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N2O6/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/h8-11,16,19,23,32H,3-7,12-15,17-18H2,1-2H3
InChIKey
BBEUZYQHCVXMSP-UHFFFAOYSA-N
Synonyms

COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=O)C(=C(O3)C(CC(=O)OC)C4CCCCC4)O
InChI=1SC27H36N2O6c1332110820(91121)29141228(131529)18221624(30)26(32)27(3522)23(1725(31)342)196435719h81116192332H3712151718H212H3
methyl3cyclohexyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxo4Hpyran2yl)propanoate
methyl3cyclohexyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxopyran2yl)propanoate
MFCD29058223
ZINC000253396390
ZINC000253396392

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Available files

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