Vitas-M small molecule compound
(4E)-N-(3-chloro-4-methoxyphenyl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
Catalog ID
STL471018
SMILES COc1ccc(cc1Cl)NC(=O)CC/C(=C/Cc1c(O)c2C(=O)OCc2c(c1OC)C)/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 C24H26ClNO6 MW 459.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26ClNO6/c1-13(6-10-20(27)26-15-7-9-19(30-3)18(25)11-15)5-8-16-22(28)21-17(12-32-24(21)29)14(2)23(16)31-4/h5,7,9,11,28H,6,8,10,12H2,1-4H3,(H,26,27)/b13-5+InChIKey
ISZRLZAFPJAWIA-WLRTZDKTSA-NSynonyms
1282460-00-7(4E)N(3chloro4methoxyphenyl)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylhex4enamide
(E)N(3chloro4methoxyphenyl)6(4hydroxy6methoxy7methyl3oxo13dihydroisobenzofuran5yl)4methylhex4enamide
(E)N(3chloro4methoxyphenyl)6(4hydroxy6methoxy7methyl3oxo1H2benzofuran5yl)4methylhex4enamide
1282460007
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)NC3=CC(=C(C=C3)OC)Cl)OC
COc1ccc(cc1Cl)NC(=O)CCC(=CCc1c(O)c2C(=O)OCc2c(c1OC)C)C
InChI=1SC24H26ClNO6c113(61020(27)26157919(303)18(25)1115)581622(28)2117(123224(21)29)14(2)23(16)314h5791128H681012H214H3(H2627)b135+
MFCD18790947
ZINC000062001523
ZINC62001523
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