Vitas-M small molecule compound
methyl 4-{[(4E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoyl]amino}benzoate
Catalog ID
STL520216
SMILES COC(=O)c1ccc(cc1)NC(=O)CC/C(=C/Cc1c(OC)c(C)c2c(c1OC)C(=O)OC2)/C
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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 C26H29NO7 MW 467.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO7/c1-15(7-13-21(28)27-18-10-8-17(9-11-18)25(29)33-5)6-12-19-23(31-3)16(2)20-14-34-26(30)22(20)24(19)32-4/h6,8-11H,7,12-14H2,1-5H3,(H,27,28)/b15-6+InChIKey
KHJQEFFEXHPHJE-GIDUJCDVSA-NSynonyms
1282458-09-6(E)METHYL4(6(46DIMETHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)4METHYLHEX4ENAMIDO)BENZOATE
1282458096
52905493
COC(=O)c1ccc(cc1)NC(=O)CCC(=CCc1c(OC)c(C)c2c(c1OC)C(=O)OC2)C
InChI=1SC26H29NO7c115(71321(28)271810817(91118)25(29)335)6121923(313)16(2)20143426(30)22(20)24(19)324h6811H71214H215H3(H2728)b156+
methyl4(((~(E))6(46dimethoxy7methyl3oxo1~(H)2benzofuran5yl)4methylhex4enoyl)amino)benzoate
methyl4(((4E)6(46dimethoxy7methyl3oxo13dihydro2benzofuran5yl)4methylhex4enoyl)amino)benzoate
MFCD18791082
ZINC000062001709
ZINC62001709
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