Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-2-[1-({[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}amino)ethylidene]-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL547440
SMILES COc1ccccc1c1noc(n1)CN/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/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 C28H25N3O8 MW 531.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O8/c1-12-23(34)21(14(3)32)25-22(24(12)35)28(4)18(38-25)10-16(33)20(26(28)36)13(2)29-11-19-30-27(31-39-19)15-8-6-7-9-17(15)37-5/h6-10,29,34-35H,11H2,1-5H3/b20-13+/t28-/m0/s1InChIKey
BJJPRIVILMKBDN-JVELKTRGSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy2(1((3(2methoxyphenyl)124oxadiazol5yl)methylamino)ethylidene)89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl79dihydroxy2(1(((3(2methoxyphenyl)124oxadiazol5yl)methyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl79dihydroxy2(1(((3(2methoxyphenyl)124oxadiazol5yl)methyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
110207657
COc1ccccc1c1noc(n1)CNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC28H25N3O8c11223(34)21(14(3)32)2522(24(12)35)28(4)18(3825)1016(33)20(26(28)36)13(2)2911193027(313919)15867917(15)375h610293435H11H215H3b2013+t28m0s1
ZINC000253397089
ZINC253397089
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.