Vitas-M small molecule compound
(4E)-N-(3-chlorobenzyl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
Catalog ID
STL471074
SMILES COc1c(C/C=C(/CCC(=O)NCc2cccc(c2)Cl)\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(8-10-20(27)26-12-16-5-4-6-17(25)11-16)7-9-18-22(28)21-19(13-31-24(21)29)15(2)23(18)30-3/h4-7,11,28H,8-10,12-13H2,1-3H3,(H,26,27)/b14-7+InChIKey
KHYYHGPFSHOAOW-VGOFMYFVSA-NSynonyms
1282459-09-9(4E)N(3chlorobenzyl)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylhex4enamide
(E)N((3chlorophenyl)methyl)6(4hydroxy6methoxy7methyl3oxo1H2benzofuran5yl)4methylhex4enamide
(E)N(3chlorobenzyl)6(4hydroxy6methoxy7methyl3oxo13dihydroisobenzofuran5yl)4methylhex4enamide
1282459099
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)NCC3=CC(=CC=C3)Cl)OC
COc1c(CC=C(CCC(=O)NCc2cccc(c2)Cl)C)c(O)c2c(c1C)COC2=O
InChI=1SC24H26ClNO5c114(81020(27)26121654617(25)1116)791822(28)2119(133124(21)29)15(2)23(18)303h471128H8101213H213H3(H2627)b147+
MFCD18791117
ZINC000062001745
ZINC62001745
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