Vitas-M small molecule compound
(4E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-N-(1,3-thiazol-2-yl)hex-4-enamide
Catalog ID
STL471086
SMILES COc1c(C/C=C(/CCC(=O)Nc2nccs2)\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 C21H24N2O5S MW 416.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O5S/c1-12(6-8-16(24)23-21-22-9-10-29-21)5-7-14-18(26-3)13(2)15-11-28-20(25)17(15)19(14)27-4/h5,9-10H,6-8,11H2,1-4H3,(H,22,23,24)/b12-5+InChIKey
BVVUMHBHDQTXJS-LFYBBSHMSA-NSynonyms
1282459-36-2(4E)6(46dimethoxy7methyl3oxo13dihydro2benzofuran5yl)4methylN(13thiazol2yl)hex4enamide
(E)6(46dimethoxy7methyl3oxo13dihydroisobenzofuran5yl)4methylN(thiazol2yl)hex4enamide
(E)6(46dimethoxy7methyl3oxo1H2benzofuran5yl)4methylN(13thiazol2yl)hex4enamide
1282459362
CC1=C(C(=C(C2=C1COC2=O)OC)CC=C(C)CCC(=O)NC3=NC=CS3)OC
COc1c(CC=C(CCC(=O)Nc2nccs2)C)c(OC)c2c(c1C)COC2=O
InChI=1SC21H24N2O5Sc112(6816(24)2321229102921)571418(263)13(2)15112820(25)17(15)19(14)274h5910H6811H214H3(H222324)b125+
MFCD18791099
ZINC000062001726
ZINC62001726
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