Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-2-(1-{[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino}ethylidene)-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL548222
SMILES Oc1ccc(cc1)C(CN/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C)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 C26H25NO8 MW 479.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO8/c1-11-22(32)20(13(3)28)24-21(23(11)33)26(4)18(35-24)9-16(30)19(25(26)34)12(2)27-10-17(31)14-5-7-15(29)8-6-14/h5-9,17,27,29,31-33H,10H2,1-4H3/b19-12+/t17?,26-/m0/s1InChIKey
HDJQLGFFHYCRBY-VFFNZVBLSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy2(1((2hydroxy2(4hydroxyphenyl)ethyl)amino)ethylidene)89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl79dihydroxy2(1((2hydroxy2(4hydroxyphenyl)ethyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
(9bRE)6acetyl79dihydroxy2(1((2hydroxy2(4hydroxyphenyl)ethyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
110206862
InChI=1SC26H25NO8c11122(32)20(13(3)28)2421(23(11)33)26(4)18(3524)916(30)19(25(26)34)12(2)271017(31)145715(29)8614h591727293133H10H214H3b1912+t17?26m0s1
Oc1ccc(cc1)C(CNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C)O
ZINC000253403388
ZINC000253403394
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