Vitas-M small molecule compound
(4E)-N-(2-chlorobenzyl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
Catalog ID
STL471015
SMILES COc1c(C/C=C(/CCC(=O)NCc2ccccc2Cl)\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 C24H26ClNO5 MW 443.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26ClNO5/c1-14(9-11-20(27)26-12-16-6-4-5-7-19(16)25)8-10-17-22(28)21-18(13-31-24(21)29)15(2)23(17)30-3/h4-8,28H,9-13H2,1-3H3,(H,26,27)/b14-8+InChIKey
HZXJCKIDBXPNGC-RIYZIHGNSA-NSynonyms
1282457-74-2(4E)N(2chlorobenzyl)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylhex4enamide
(E)N((2chlorophenyl)methyl)6(4hydroxy6methoxy7methyl3oxo1H2benzofuran5yl)4methylhex4enamide
(E)N(2chlorobenzyl)6(4hydroxy6methoxy7methyl3oxo13dihydroisobenzofuran5yl)4methylhex4enamide
1282457742
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)NCC3=CC=CC=C3Cl)OC
COc1c(CC=C(CCC(=O)NCc2ccccc2Cl)C)c(O)c2c(c1C)COC2=O
InChI=1SC24H26ClNO5c114(91120(27)261216645719(16)25)8101722(28)2118(133124(21)29)15(2)23(17)303h4828H913H213H3(H2627)b148+
MFCD18791050
ZINC000062001666
ZINC62001666
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