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-(3,4,5-trimethoxyphenyl)hex-4-enamide
Catalog ID
STL471055
SMILES COc1cc(NC(=O)CC/C(=C/Cc2c(OC)c(C)c3c(c2O)C(=O)OC3)/C)cc(c1OC)OC
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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 C26H31NO8 MW 485.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO8/c1-14(7-9-17-23(29)22-18(13-35-26(22)30)15(2)24(17)33-5)8-10-21(28)27-16-11-19(31-3)25(34-6)20(12-16)32-4/h7,11-12,29H,8-10,13H2,1-6H3,(H,27,28)/b14-7+InChIKey
SOQFTAWEOYERIN-VGOFMYFVSA-NSynonyms
1282457-29-7(4E)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylN(345trimethoxyphenyl)hex4enamide
(E)6(4hydroxy6methoxy7methyl3oxo13dihydroisobenzofuran5yl)4methylN(345trimethoxyphenyl)hex4enamide
(E)6(4hydroxy6methoxy7methyl3oxo1H2benzofuran5yl)4methylN(345trimethoxyphenyl)hex4enamide
1282457297
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)NC3=CC(=C(C(=C3)OC)OC)OC)OC
COc1cc(NC(=O)CCC(=CCc2c(OC)c(C)c3c(c2O)C(=O)OC3)C)cc(c1OC)OC
InChI=1SC26H31NO8c114(791723(29)2218(133526(22)30)15(2)24(17)335)81021(28)27161119(313)25(346)20(1216)324h7111229H81013H216H3(H2728)b147+
MFCD18790897
ZINC000062001452
ZINC62001452
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