Vitas-M small molecule compound
methyl 3-(3-hydroxy-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)-3-(3,4,5-trifluorophenyl)propanoate
Catalog ID
STL492694
SMILES COC(=O)CC(c1oc(CN2CCN(CC2)c2ccc(cc2)OC)cc(=O)c1O)c1cc(F)c(c(c1)F)F
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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 C27H27F3N2O6 MW 532.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27F3N2O6/c1-36-18-5-3-17(4-6-18)32-9-7-31(8-10-32)15-19-13-23(33)26(35)27(38-19)20(14-24(34)37-2)16-11-21(28)25(30)22(29)12-16/h3-6,11-13,20,35H,7-10,14-15H2,1-2H3InChIKey
OTGHTICUEUGIPR-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=O)C(=C(O3)C(CC(=O)OC)C4=CC(=C(C(=C4)F)F)F)O
InChI=1SC27H27F3N2O6c136185317(4618)329731(81032)15191323(33)26(35)27(3819)20(1424(34)372)161121(28)25(30)22(29)1216h3611132035H7101415H212H3
methyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxo4Hpyran2yl)3(345trifluorophenyl)propanoate
methyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxopyran2yl)3(345trifluorophenyl)propanoate
MFCD29057768
ZINC000253411534
ZINC000253411536
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