Vitas-M small molecule compound
propan-2-yl 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
STL520377
SMILES COc1c(C/C=C(/CCC(=O)Nc2ccc(cc2)C(=O)OC(C)C)\C)c(OC)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 C28H33NO7 MW 495.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33NO7/c1-16(2)36-27(31)19-9-11-20(12-10-19)29-23(30)14-8-17(3)7-13-21-25(33-5)18(4)22-15-35-28(32)24(22)26(21)34-6/h7,9-12,16H,8,13-15H2,1-6H3,(H,29,30)/b17-7+InChIKey
KVMFMMSNHBAAIM-REZTVBANSA-NSynonyms
1282459-66-8(E)ISOPROPYL4(6(46DIMETHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)4METHYLHEX4ENAMIDO)BENZOATE
1282459668
52905439
COc1c(CC=C(CCC(=O)Nc2ccc(cc2)C(=O)OC(C)C)C)c(OC)c2c(c1C)COC2=O
InChI=1SC28H33NO7c116(2)3627(31)1991120(121019)2923(30)14817(3)7132125(335)18(4)22153528(32)24(22)26(21)346h791216H81315H216H3(H2930)b177+
MFCD18791045
propan2yl4(((~(E))6(46dimethoxy7methyl3oxo1~(H)2benzofuran5yl)4methylhex4enoyl)amino)benzoate
propan2yl4(((4E)6(46dimethoxy7methyl3oxo13dihydro2benzofuran5yl)4methylhex4enoyl)amino)benzoate
ZINC000062001661
ZINC62001661
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