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]phenylalaninate
Catalog ID
STL476182
SMILES COC(=O)C(Cc1ccccc1)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 C28H33NO7 MW 495.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33NO7/c1-17(12-14-23(30)29-22(27(31)35-5)15-19-9-7-6-8-10-19)11-13-20-25(33-3)18(2)21-16-36-28(32)24(21)26(20)34-4/h6-11,22H,12-16H2,1-5H3,(H,29,30)/b17-11+InChIKey
ROXXVBDOTANZJA-GZTJUZNOSA-NSynonyms
(SE)methyl2(6(46dimethoxy7methyl3oxo13dihydroisobenzofuran5yl)4methylhex4enamido)3phenylpropanoate
CC1=C(C(=C(C2=C1COC2=O)OC)CC=C(C)CCC(=O)NC(CC3=CC=CC=C3)C(=O)OC)OC
COC(=O)(C@H)(Cc1ccccc1)NC(=O)CCC(=CCc1c(OC)c(C)c2c(c1OC)C(=O)OC2)C
COC(=O)C(Cc1ccccc1)NC(=O)CCC(=CCc1c(OC)c(C)c2c(c1OC)C(=O)OC2)C
InChI=1SC28H33NO7c117(121423(30)2922(27(31)355)151997681019)11132025(333)18(2)21163628(32)24(21)26(20)344h61122H1216H215H3(H2930)b1711+
methyl2(((E)6(46dimethoxy7methyl3oxo1H2benzofuran5yl)4methylhex4enoyl)amino)3phenylpropanoate
methylN((4E)6(46dimethoxy7methyl3oxo13dihydro2benzofuran5yl)4methylhex4enoyl)phenylalaninate
MFCD31751337
ZINC000217724553
ZINC000334162275
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