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-oxo-2-phenylethyl)hex-4-enamide
Catalog ID
STL522626
SMILES COc1c(C/C=C(/CCC(=O)NCC(=O)c2ccccc2)\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 C25H27NO6 MW 437.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO6/c1-15(10-12-21(28)26-13-20(27)17-7-5-4-6-8-17)9-11-18-23(29)22-19(14-32-25(22)30)16(2)24(18)31-3/h4-9,29H,10-14H2,1-3H3,(H,26,28)/b15-9+InChIKey
XWYXZSNPUAXWLG-OQLLNIDSSA-NSynonyms
1630907-72-0(~(E))6(4hydroxy6methoxy7methyl3oxo1~(H)2benzofuran5yl)4methyl~(N)phenacylhex4enamide
(4E)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylN(2oxo2phenylethyl)hex4enamide
(E)6(4HYDROXY6METHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)4METHYLN(2OXO2PHENYLETHYL)HEX4ENAMIDE
1630907720
91636944
COc1c(CC=C(CCC(=O)NCC(=O)c2ccccc2)C)c(O)c2c(c1C)COC2=O
InChI=1SC25H27NO6c115(101221(28)261320(27)177546817)9111823(29)2219(143225(22)30)16(2)24(18)313h4929H1014H213H3(H2628)b159+
MFCD28349034
ZINC000217669572
ZINC217669572
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