Vitas-M small molecule compound
(4E)-N-(furan-2-ylmethyl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
Catalog ID
STL471027
SMILES COc1c(C/C=C(/CCC(=O)NCc2ccco2)\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 C22H25NO6 MW 399.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO6/c1-13(7-9-18(24)23-11-15-5-4-10-28-15)6-8-16-20(25)19-17(12-29-22(19)26)14(2)21(16)27-3/h4-6,10,25H,7-9,11-12H2,1-3H3,(H,23,24)/b13-6+InChIKey
IGTDCAPKTHFAPK-AWNIVKPZSA-NSynonyms
1282457-36-6(4E)N(furan2ylmethyl)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylhex4enamide
(E)N(furan2ylmethyl)6(4hydroxy6methoxy7methyl3oxo13dihydroisobenzofuran5yl)4methylhex4enamide
(E)N(furan2ylmethyl)6(4hydroxy6methoxy7methyl3oxo1H2benzofuran5yl)4methylhex4enamide
1282457366
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)NCC3=CC=CO3)OC
COc1c(CC=C(CCC(=O)NCc2ccco2)C)c(O)c2c(c1C)COC2=O
InChI=1SC22H25NO6c113(7918(24)23111554102815)681620(25)1917(122922(19)26)14(2)21(16)273h461025H791112H213H3(H2324)b136+
MFCD18790962
ZINC000062001544
ZINC62001544
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