Vitas-M small molecule compound
(4aR)-8-acetyl-5,7-dihydroxy-1-(4-hydroxy-6-methylpyrimidin-2-yl)-3,4a,6-trimethyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL552438
SMILES Cc1cc(O)nc(n1)n1nc(c2c1C=C1Oc3c([C@]1(C2=O)C)c(O)c(c(c3C(=O)C)O)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 C23H20N4O6 MW 448.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O6/c1-8-6-14(29)25-22(24-8)27-12-7-13-23(5,21(32)15(12)10(3)26-27)17-19(31)9(2)18(30)16(11(4)28)20(17)33-13/h6-7,30-31H,1-5H3,(H,24,25,29)/t23-/m0/s1InChIKey
SMWREKDWEWXUPU-QHCPKHFHSA-NSynonyms
(4~(a)~(R))8acetyl57dihydroxy34~(a)6trimethyl1(4methyl6oxo1~(H)pyrimidin2yl)(1)benzofuro(32f)indazol4one
(4aR)8acetyl57dihydroxy1(4hydroxy6methylpyrimidin2yl)34a6trimethyl14adihydro4H(1)benzofuro(32f)indazol4one
(R)8acetyl57dihydroxy1(4hydroxy6methylpyrimidin2yl)34a6trimethyl1Hbenzofuro(32f)indazol4(4aH)one
135640675
Cc1cc(O)nc(n1)n1nc(c2c1C=C1Oc3c((C@)1(C2=O)C)c(O)c(c(c3C(=O)C)O)C)C
InChI=1SC23H20N4O6c18614(29)2522(248)271271323(521(32)15(12)10(3)2627)1719(31)9(2)18(30)16(11(4)28)20(17)3313h673031H15H3(H242529)t23m0s1
ZINC001547139540
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