Vitas-M small molecule compound
(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]hex-4-enamide
Catalog ID
STL521714
SMILES COc1c(C/C=C(/CCC(=O)NCc2c(C)nn(c2C)C)\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 C24H31N3O5 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31N3O5/c1-13(8-10-20(28)25-11-18-15(3)26-27(5)16(18)4)7-9-17-22(29)21-19(12-32-24(21)30)14(2)23(17)31-6/h7,29H,8-12H2,1-6H3,(H,25,28)/b13-7+InChIKey
CYDIZYAJESHJIF-NTUHNPAUSA-NSynonyms
1574537-20-4(~(E))6(4hydroxy6methoxy7methyl3oxo1~(H)2benzofuran5yl)4methyl~(N)((135trimethylpyrazol4yl)methyl)hex4enamide
(4E)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylN((135trimethyl1Hpyrazol4yl)methyl)hex4enamide
(E)6(4HYDROXY6METHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)4METHYLN((135TRIMETHYL1HPYRAZOL4YL)METHYL)HEX4ENAMIDE
1574537204
75464685
COc1c(CC=C(CCC(=O)NCc2c(C)nn(c2C)C)C)c(O)c2c(c1C)COC2=O
InChI=1SC24H31N3O5c113(81020(28)25111815(3)2627(5)16(18)4)791722(29)2119(123224(21)30)14(2)23(17)316h729H812H216H3(H2528)b137+
MFCD28051440
ZINC000096115293
ZINC96115293
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