Vitas-M small molecule compound
(4E)-N-(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
Catalog ID
STL473913
SMILES CCCn1nc(c(c1C)NC(=O)CC/C(=C/Cc1c(O)c2C(=O)OCc2c(c1OC)C)/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 C25H33N3O5 MW 455.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33N3O5/c1-7-12-28-17(5)22(16(4)27-28)26-20(29)11-9-14(2)8-10-18-23(30)21-19(13-33-25(21)31)15(3)24(18)32-6/h8,30H,7,9-13H2,1-6H3,(H,26,29)/b14-8+InChIKey
MLVPDWOFGJZWIT-RIYZIHGNSA-NSynonyms
1574537-28-2(4E)N(35dimethyl1propyl1Hpyrazol4yl)6(4hydroxy6methoxy7methyl3oxo13dihydro2benzofuran5yl)4methylhex4enamide
(E)N(35dimethyl1propyl1Hpyrazol4yl)6(4hydroxy6methoxy7methyl3oxo13dihydroisobenzofuran5yl)4methylhex4enamide
(E)N(35dimethyl1propylpyrazol4yl)6(4hydroxy6methoxy7methyl3oxo1H2benzofuran5yl)4methylhex4enamide
1574537282
CCCN1C(=C(C(=N1)C)NC(=O)CCC(=CCC2=C(C3=C(COC3=O)C(=C2OC)C)O)C)C
CCCn1nc(c(c1C)NC(=O)CCC(=CCc1c(O)c2C(=O)OCc2c(c1OC)C)C)C
InChI=1SC25H33N3O5c17122817(5)22(16(4)2728)2620(29)11914(2)8101823(30)2119(133325(21)31)15(3)24(18)326h830H7913H216H3(H2629)b148+
MFCD28051269
ZINC000095548364
ZINC95548364
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