Vitas-M small molecule compound
methyl 3-(3-hydroxy-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)-3-[4-(methylsulfanyl)phenyl]propanoate
Catalog ID
STL494133
SMILES COC(=O)CC(c1oc(CN2CCN(CC2)c2ccc(cc2)OC)cc(=O)c1O)c1ccc(cc1)SC
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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 C28H32N2O6S MW 524.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O6S/c1-34-21-8-6-20(7-9-21)30-14-12-29(13-15-30)18-22-16-25(31)27(33)28(36-22)24(17-26(32)35-2)19-4-10-23(37-3)11-5-19/h4-11,16,24,33H,12-15,17-18H2,1-3H3InChIKey
DWPIPFPFORZXPD-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=O)C(=C(O3)C(CC(=O)OC)C4=CC=C(C=C4)SC)O
InChI=1SC28H32N2O6Sc134218620(7921)30141229(131530)18221625(31)27(33)28(3622)24(1726(32)352)1941023(373)11519h411162433H12151718H213H3
methyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxo4Hpyran2yl)3(4(methylsulfanyl)phenyl)propanoate
methyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxo4Hpyran2yl)3(4(methylthio)phenyl)propanoate
methyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxopyran2yl)3(4methylsulfanylphenyl)propanoate
MFCD29057591
ZINC000253400347
ZINC000253400351
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