Vitas-M small molecule compound

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

Catalog ID
STL471196
SMILES COc1c(C/C=C(/CCC(=O)NCc2ccc3c(c2)OCO3)\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 C25H27NO7 MW 453.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO7/c1-14(5-9-21(27)26-11-16-6-8-19-20(10-16)33-13-32-19)4-7-17-23(28)22-18(12-31-25(22)29)15(2)24(17)30-3/h4,6,8,10,28H,5,7,9,11-13H2,1-3H3,(H,26,27)/b14-4+
InChIKey
BYXTWTBKTOOIJU-LNKIKWGQSA-N
Synonyms
1282457-98-0
(4E)N(13benzodioxol5ylmethyl)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylhex4enamide
(E)N(13benzodioxol5ylmethyl)6(4hydroxy6methoxy7methyl3oxo1H2benzofuran5yl)4methylhex4enamide
(E)N(benzo(d)(13)dioxol5ylmethyl)6(4hydroxy6methoxy7methyl3oxo13dihydroisobenzofuran5yl)4methylhex4enamide
1282457980
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)NCC3=CC4=C(C=C3)OCO4)OC
COc1c(CC=C(CCC(=O)NCc2ccc3c(c2)OCO3)C)c(O)c2c(c1C)COC2=O
InChI=1SC25H27NO7c114(5921(27)261116681920(1016)33133219)471723(28)2218(123125(22)29)15(2)24(17)303h4681028H5791113H213H3(H2627)b144+
MFCD18791075
ZINC000062001702
ZINC62001702

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Available files

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