Vitas-M small molecule compound
6-{(2E)-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-6-oxohex-2-en-1-yl}-7-hydroxy-5-methoxy-4-methyl-2-benzofuran-1(3H)-one
Catalog ID
STL522809
SMILES COc1c(C/C=C(/CCC(=O)N2CCN(CC2)c2ccc(cc2)F)\C)c(O)c2c(c1C)COC2=O
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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 C27H31FN2O5 MW 482.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31FN2O5/c1-17(4-10-21-25(32)24-22(16-35-27(24)33)18(2)26(21)34-3)5-11-23(31)30-14-12-29(13-15-30)20-8-6-19(28)7-9-20/h4,6-9,32H,5,10-16H2,1-3H3/b17-4+InChIKey
XFQPXYJOVLVKJM-HAVNEIBRSA-NSynonyms
1630908-33-6(E)6(6(4(4FLUOROPHENYL)PIPERAZIN1YL)3METHYL6OXOHEX2EN1YL)7HYDROXY5METHOXY4METHYLISOBENZOFURAN1(3H)ONE
1630908336
6((~(E))6(4(4fluorophenyl)piperazin1yl)3methyl6oxohex2enyl)7hydroxy5methoxy4methyl3~(H)2benzofuran1one
6((2E)6(4(4fluorophenyl)piperazin1yl)3methyl6oxohex2en1yl)7hydroxy5methoxy4methyl2benzofuran1(3H)one
91636871
COc1c(CC=C(CCC(=O)N2CCN(CC2)c2ccc(cc2)F)C)c(O)c2c(c1C)COC2=O
InChI=1SC27H31FN2O5c117(4102125(32)2422(163527(24)33)18(2)26(21)343)51123(31)30141229(131530)208619(28)7920h46932H51016H213H3b174+
MFCD28348984
ZINC000217657563
ZINC217657563
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