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-(1-methyl-1H-indol-4-yl)hex-4-enamide
Catalog ID
STL522830
SMILES COc1c(C/C=C(/CCC(=O)Nc2cccc3c2ccn3C)\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 C26H28N2O5 MW 448.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O5/c1-15(9-11-22(29)27-20-6-5-7-21-17(20)12-13-28(21)3)8-10-18-24(30)23-19(14-33-26(23)31)16(2)25(18)32-4/h5-8,12-13,30H,9-11,14H2,1-4H3,(H,27,29)/b15-8+InChIKey
RXTQEANOVWWOJC-OVCLIPMQSA-NSynonyms
1630908-19-8(~(E))6(4hydroxy6methoxy7methyl3oxo1~(H)2benzofuran5yl)4methyl~(N)(1methylindol4yl)hex4enamide
(4E)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylN(1methyl1Hindol4yl)hex4enamide
(E)6(4HYDROXY6METHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)4METHYLN(1METHYL1HINDOL4YL)HEX4ENAMIDE
1630908198
91638250
COc1c(CC=C(CCC(=O)Nc2cccc3c2ccn3C)C)c(O)c2c(c1C)COC2=O
InChI=1SC26H28N2O5c115(91122(29)27206572117(20)121328(21)3)8101824(30)2319(143326(23)31)16(2)25(18)324h58121330H91114H214H3(H2729)b158+
MFCD28349888
ZINC000217869148
ZINC217869148
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