Vitas-M small molecule compound
(4E)-N-(4-bromophenyl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
Catalog ID
STL471071
SMILES COc1c(C/C=C(/CCC(=O)Nc2ccc(cc2)Br)\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 C23H24BrNO5 MW 474.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24BrNO5/c1-13(5-11-19(26)25-16-8-6-15(24)7-9-16)4-10-17-21(27)20-18(12-30-23(20)28)14(2)22(17)29-3/h4,6-9,27H,5,10-12H2,1-3H3,(H,25,26)/b13-4+InChIKey
DDDUIZHMHNZEKR-YIXHJXPBSA-NSynonyms
1282458-43-8(4E)N(4bromophenyl)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylhex4enamide
(E)N(4bromophenyl)6(4hydroxy6methoxy7methyl3oxo13dihydroisobenzofuran5yl)4methylhex4enamide
(E)N(4bromophenyl)6(4hydroxy6methoxy7methyl3oxo1H2benzofuran5yl)4methylhex4enamide
1282458438
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)NC3=CC=C(C=C3)Br)OC
COc1c(CC=C(CCC(=O)Nc2ccc(cc2)Br)C)c(O)c2c(c1C)COC2=O
InChI=1SC23H24BrNO5c113(51119(26)25168615(24)7916)4101721(27)2018(123023(20)28)14(2)22(17)293h46927H51012H213H3(H2526)b134+
MFCD18791027
ZINC000062001633
ZINC62001633
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