Vitas-M small molecule compound

(4E)-N-cyclopentyl-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide

Catalog ID
STL471024
SMILES COc1c(C/C=C(/CCC(=O)NC2CCCC2)\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 C22H29NO5 MW 387.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO5/c1-13(9-11-18(24)23-15-6-4-5-7-15)8-10-16-20(25)19-17(12-28-22(19)26)14(2)21(16)27-3/h8,15,25H,4-7,9-12H2,1-3H3,(H,23,24)/b13-8+
InChIKey
OCORRTIZMPWMTN-MDWZMJQESA-N
Synonyms
1282459-50-0
(4E)Ncyclopentyl6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylhex4enamide
(E)Ncyclopentyl6(4hydroxy6methoxy7methyl3oxo13dihydroisobenzofuran5yl)4methylhex4enamide
(E)Ncyclopentyl6(4hydroxy6methoxy7methyl3oxo1H2benzofuran5yl)4methylhex4enamide
1282459500
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)NC3CCCC3)OC
COc1c(CC=C(CCC(=O)NC2CCCC2)C)c(O)c2c(c1C)COC2=O
InChI=1SC22H29NO5c113(91118(24)2315645715)8101620(25)1917(122822(19)26)14(2)21(16)273h81525H47912H213H3(H2324)b138+
MFCD18791103
ZINC000062001730
ZINC62001730

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Available files

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