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-[(2Z)-4-(pyridin-3-yl)-1,3-thiazol-2(3H)-ylidene]hex-4-enamide
Catalog ID
STL521275
SMILES COc1c(C/C=C(/CCC(=O)/N=c/2\scc([nH]2)c2cccnc2)\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 C25H25N3O5S MW 479.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O5S/c1-14(6-8-17-22(30)21-18(12-33-24(21)31)15(2)23(17)32-3)7-9-20(29)28-25-27-19(13-34-25)16-5-4-10-26-11-16/h4-6,10-11,13,30H,7-9,12H2,1-3H3,(H,27,28,29)/b14-6+InChIKey
DZFPLJMULWNGBK-MKMNVTDBSA-NSynonyms
1351705-01-5(~(E))6(4hydroxy6methoxy7methyl3oxo1~(H)2benzofuran5yl)4methyl~(N)(4pyridin3yl13thiazol2yl)hex4enamide
(4E)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylN((2Z)4(pyridin3yl)13thiazol2(3H)ylidene)hex4enamide
(E)6(4HYDROXY6METHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)4METHYLN(4(PYRIDIN3YL)THIAZOL2YL)HEX4ENAMIDE
1351705015
71753539
InChI=1SC25H25N3O5Sc114(681722(30)2118(123324(21)31)15(2)23(17)323)7920(29)28252719(133425)165410261116h4610111330H7912H213H3(H272829)b146+
MFCD31752271
ZINC000072324926
ZINC72324926
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