Vitas-M small molecule compound
(2E)-6-acetyl-7,9-dihydroxy-2-{1-[(3-hydroxypropyl)amino]ethylidene}-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL547791
SMILES OCCCN/C(=C/1\C(=O)C=C2C(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 C21H23NO7 MW 401.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO7/c1-9-17(26)15(11(3)24)19-16(18(9)27)21(4)13(29-19)8-12(25)14(20(21)28)10(2)22-6-5-7-23/h8,22-23,26-27H,5-7H2,1-4H3/b14-10+InChIKey
JMPDRRXDKWDBFQ-GXDHUFHOSA-NSynonyms
(2~(E))6acetyl79dihydroxy2(1(3hydroxypropylamino)ethylidene)89~(b)dimethyldibenzofuran13dione
(2E)6acetyl79dihydroxy2(1((3hydroxypropyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
(E)6ACETYL79DIHYDROXY2(1((3HYDROXYPROPYL)AMINO)ETHYLIDENE)89BDIMETHYLDIBENZO(BD)FURAN13(2H9BH)DIONE
110207941
InChI=1SC21H23NO7c1917(26)15(11(3)24)1916(18(9)27)21(4)13(2919)812(25)14(20(21)28)10(2)2265723h822232627H57H214H3b1410+
MFCD29056391
OCCCNC(=C1C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000253407044
ZINC000253407046
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