Vitas-M small molecule compound
5-(3,3-dimethyl-2-oxobutoxy)-2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Catalog ID
STK939762
SMILES O=C(C(C)(C)C)COc1coc(cc1=O)CN1CCN(CC1)c1ccc(cc1)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 C22H27FN2O4 MW 402.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27FN2O4/c1-22(2,3)21(27)15-29-20-14-28-18(12-19(20)26)13-24-8-10-25(11-9-24)17-6-4-16(23)5-7-17/h4-7,12,14H,8-11,13,15H2,1-3H3InChIKey
WFUHQBUVEUROIM-UHFFFAOYSA-NSynonyms
1190288-18-61190288186
5(33dimethyl2oxobutoxy)2((4(4fluorophenyl)piperazin1yl)methyl)4Hpyran4one
5(33dimethyl2oxobutoxy)2((4(4fluorophenyl)piperazin1yl)methyl)pyran4one
CC(C)(C)C(=O)COC1=COC(=CC1=O)CN2CCN(CC2)C3=CC=C(C=C3)F
InChI=1SC22H27FN2O4c122(23)21(27)152920142818(1219(20)26)132481025(11924)176416(23)5717h471214H8111315H213H3
MFCD13757868
ZINC000036358357
ZINC36358357
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