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-(pyridin-3-ylmethyl)hex-4-enamide
Catalog ID
STL471022
SMILES COc1c(C/C=C(/CCC(=O)NCc2cccnc2)\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 C23H26N2O5 MW 410.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O5/c1-14(7-9-19(26)25-12-16-5-4-10-24-11-16)6-8-17-21(27)20-18(13-30-23(20)28)15(2)22(17)29-3/h4-6,10-11,27H,7-9,12-13H2,1-3H3,(H,25,26)/b14-6+InChIKey
WTWIRJOQIFLBSO-MKMNVTDBSA-NSynonyms
1282459-74-8(4E)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylN(pyridin3ylmethyl)hex4enamide
(E)6(4hydroxy6methoxy7methyl3oxo13dihydroisobenzofuran5yl)4methylN(pyridin3ylmethyl)hex4enamide
(E)6(4hydroxy6methoxy7methyl3oxo1H2benzofuran5yl)4methylN(pyridin3ylmethyl)hex4enamide
1282459748
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)NCC3=CN=CC=C3)OC
COc1c(CC=C(CCC(=O)NCc2cccnc2)C)c(O)c2c(c1C)COC2=O
InChI=1SC23H26N2O5c114(7919(26)2512165410241116)681721(27)2018(133023(20)28)15(2)22(17)293h46101127H791213H213H3(H2526)b146+
MFCD18790930
ZINC000062001495
ZINC62001495
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