Vitas-M small molecule compound
4-{[(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoyl]amino}benzamide
Catalog ID
STL471191
SMILES COc1c(C/C=C(/CCC(=O)Nc2ccc(cc2)C(=O)N)\C)c(O)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 C24H26N2O6 MW 438.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O6/c1-13(5-11-19(27)26-16-8-6-15(7-9-16)23(25)29)4-10-17-21(28)20-18(12-32-24(20)30)14(2)22(17)31-3/h4,6-9,28H,5,10-12H2,1-3H3,(H2,25,29)(H,26,27)/b13-4+InChIKey
QEJZCZPTFFAACV-YIXHJXPBSA-NSynonyms
1282458-61-0(E)4(6(4hydroxy6methoxy7methyl3oxo13dihydroisobenzofuran5yl)4methylhex4enamido)benzamide
1282458610
4(((4E)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylhex4enoyl)amino)benzamide
4(((E)6(4hydroxy6methoxy7methyl3oxo1H2benzofuran5yl)4methylhex4enoyl)amino)benzamide
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)NC3=CC=C(C=C3)C(=O)N)OC
COc1c(CC=C(CCC(=O)Nc2ccc(cc2)C(=O)N)C)c(O)c2c(c1C)COC2=O
InChI=1SC24H26N2O6c113(51119(27)26168615(7916)23(25)29)4101721(28)2018(123224(20)30)14(2)22(17)313h46928H51012H213H3(H22529)(H2627)b134+
MFCD18791146
ZINC000062001778
ZINC62001778
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