Vitas-M small molecule compound
methyl N-[(4E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoyl]alaninate
Catalog ID
STL476180
SMILES COC(=O)C(NC(=O)CC/C(=C/Cc1c(OC)c(C)c2c(c1OC)C(=O)OC2)/C)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 C22H29NO7 MW 419.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO7/c1-12(8-10-17(24)23-14(3)21(25)29-6)7-9-15-19(27-4)13(2)16-11-30-22(26)18(16)20(15)28-5/h7,14H,8-11H2,1-6H3,(H,23,24)/b12-7+InChIKey
BQKIHDMASBHRJS-KPKJPENVSA-NSynonyms
(SE)methyl2(6(46dimethoxy7methyl3oxo13dihydroisobenzofuran5yl)4methylhex4enamido)propanoate
CC1=C(C(=C(C2=C1COC2=O)OC)CC=C(C)CCC(=O)NC(C)C(=O)OC)OC
COC(=O)(C@@H)(NC(=O)CCC(=CCc1c(OC)c(C)c2c(c1OC)C(=O)OC2)C)C
COC(=O)C(NC(=O)CCC(=CCc1c(OC)c(C)c2c(c1OC)C(=O)OC2)C)C
InChI=1SC22H29NO7c112(81017(24)2314(3)21(25)296)791519(274)13(2)16113022(26)18(16)20(15)285h714H811H216H3(H2324)b127+
methyl2(((E)6(46dimethoxy7methyl3oxo1H2benzofuran5yl)4methylhex4enoyl)amino)propanoate
methylN((4E)6(46dimethoxy7methyl3oxo13dihydro2benzofuran5yl)4methylhex4enoyl)alaninate
MFCD31751335
ZINC000217918656
ZINC000334161425
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