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-(2-methylpropyl)hex-4-enamide
Catalog ID
STL471021
SMILES COc1c(C/C=C(/CCC(=O)NCC(C)C)\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 C21H29NO5 MW 375.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29NO5/c1-12(2)10-22-17(23)9-7-13(3)6-8-15-19(24)18-16(11-27-21(18)25)14(4)20(15)26-5/h6,12,24H,7-11H2,1-5H3,(H,22,23)/b13-6+InChIKey
ZIEMQQQINVOSFB-AWNIVKPZSA-NSynonyms
1282457-69-5(4E)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylN(2methylpropyl)hex4enamide
(E)6(4hydroxy6methoxy7methyl3oxo13dihydroisobenzofuran5yl)Nisobutyl4methylhex4enamide
(E)6(4hydroxy6methoxy7methyl3oxo1H2benzofuran5yl)4methylN(2methylpropyl)hex4enamide
1282457695
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)NCC(C)C)OC
COc1c(CC=C(CCC(=O)NCC(C)C)C)c(O)c2c(c1C)COC2=O
InChI=1SC21H29NO5c112(2)102217(23)9713(3)681519(24)1816(112721(18)25)14(4)20(15)265h61224H711H215H3(H2223)b136+
MFCD18790877
ZINC000062001426
ZINC62001426
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