Vitas-M small molecule compound
(4E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-N-[(2Z)-4-(pyridin-4-yl)-1,3-thiazol-2(3H)-ylidene]hex-4-enamide
Catalog ID
STL522424
SMILES COc1c(C/C=C(/CCC(=O)/N=c/2\scc([nH]2)c2ccncc2)\C)c(OC)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 C26H27N3O5S MW 493.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O5S/c1-15(6-8-21(30)29-26-28-20(14-35-26)17-9-11-27-12-10-17)5-7-18-23(32-3)16(2)19-13-34-25(31)22(19)24(18)33-4/h5,9-12,14H,6-8,13H2,1-4H3,(H,28,29,30)/b15-5+InChIKey
SVRWPCOTHJHQGP-PJQLUOCWSA-NSynonyms
1630907-54-8(~(E))6(46dimethoxy7methyl3oxo1~(H)2benzofuran5yl)4methyl~(N)(4pyridin4yl13thiazol2yl)hex4enamide
(4E)6(46dimethoxy7methyl3oxo13dihydro2benzofuran5yl)4methylN((2Z)4(pyridin4yl)13thiazol2(3H)ylidene)hex4enamide
(E)6(46DIMETHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)4METHYLN(4(PYRIDIN4YL)THIAZOL2YL)HEX4ENAMIDE
1630907548
91638279
InChI=1SC26H27N3O5Sc115(6821(30)29262820(143526)1791127121017)571823(323)16(2)19133425(31)22(19)24(18)334h591214H6813H214H3(H282930)b155+
MFCD31752563
ZINC000217873529
ZINC217873529
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