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-phenylethyl)hex-4-enamide
Catalog ID
STL471059
SMILES COc1c(C/C=C(/CCC(=O)NCCc2ccccc2)\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 C25H29NO5 MW 423.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO5/c1-16(10-12-21(27)26-14-13-18-7-5-4-6-8-18)9-11-19-23(28)22-20(15-31-25(22)29)17(2)24(19)30-3/h4-9,28H,10-15H2,1-3H3,(H,26,27)/b16-9+InChIKey
ZQMFMTWZEAZXMU-CXUHLZMHSA-NSynonyms
1282458-90-5(4E)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylN(2phenylethyl)hex4enamide
(E)6(4hydroxy6methoxy7methyl3oxo13dihydroisobenzofuran5yl)4methylNphenethylhex4enamide
(E)6(4hydroxy6methoxy7methyl3oxo1H2benzofuran5yl)4methylN(2phenylethyl)hex4enamide
1282458905
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)NCCC3=CC=CC=C3)OC
COc1c(CC=C(CCC(=O)NCCc2ccccc2)C)c(O)c2c(c1C)COC2=O
InChI=1SC25H29NO5c116(101221(27)261413187546818)9111923(28)2220(153125(22)29)17(2)24(19)303h4928H1015H213H3(H2627)b169+
MFCD18790957
ZINC000062001538
ZINC62001538
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