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]valinate
Catalog ID
STL476181
SMILES COC(=O)C(C(C)C)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 C24H33NO7 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H33NO7/c1-13(2)20(24(28)31-7)25-18(26)11-9-14(3)8-10-16-21(29-5)15(4)17-12-32-23(27)19(17)22(16)30-6/h8,13,20H,9-12H2,1-7H3,(H,25,26)/b14-8+InChIKey
LZEZEWHZDQVOAX-RIYZIHGNSA-NSynonyms
(SE)methyl2(6(46dimethoxy7methyl3oxo13dihydroisobenzofuran5yl)4methylhex4enamido)3methylbutanoate
CC1=C(C(=C(C2=C1COC2=O)OC)CC=C(C)CCC(=O)NC(C(C)C)C(=O)OC)OC
COC(=O)(C@H)(C(C)C)NC(=O)CCC(=CCc1c(OC)c(C)c2c(c1OC)C(=O)OC2)C
COC(=O)C(C(C)C)NC(=O)CCC(=CCc1c(OC)c(C)c2c(c1OC)C(=O)OC2)C
InChI=1SC24H33NO7c113(2)20(24(28)317)2518(26)11914(3)8101621(295)15(4)17123223(27)19(17)22(16)306h81320H912H217H3(H2526)b148+
methyl2(((E)6(46dimethoxy7methyl3oxo1H2benzofuran5yl)4methylhex4enoyl)amino)3methylbutanoate
methylN((4E)6(46dimethoxy7methyl3oxo13dihydro2benzofuran5yl)4methylhex4enoyl)valinate
MFCD31751336
ZINC000217757392
ZINC000334161997
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