Vitas-M small molecule compound
(4aR)-8-acetyl-5,7-dihydroxy-1-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]-3,4a,6-trimethyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL551956
SMILES COCc1cc(C)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 C25H24N4O6 MW 476.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O6/c1-10-7-14(9-34-6)27-24(26-10)29-15-8-16-25(5,23(33)17(15)12(3)28-29)19-21(32)11(2)20(31)18(13(4)30)22(19)35-16/h7-8,31-32H,9H2,1-6H3/t25-/m0/s1InChIKey
SFJKXQQCHGOYFW-VWLOTQADSA-NSynonyms
(4~(a)~(R))8acetyl57dihydroxy1(4(methoxymethyl)6methylpyrimidin2yl)34~(a)6trimethyl(1)benzofuro(32f)indazol4one
(4aR)8acetyl57dihydroxy1(4(methoxymethyl)6methylpyrimidin2yl)34a6trimethyl14adihydro4H(1)benzofuro(32f)indazol4one
(R)8acetyl57dihydroxy1(4(methoxymethyl)6methylpyrimidin2yl)34a6trimethyl1Hbenzofuro(32f)indazol4(4aH)one
135640275
COCc1cc(C)nc(n1)n1nc(c2c1C=C1Oc3c((C@)1(C2=O)C)c(O)c(c(c3C(=O)C)O)C)C
InChI=1SC25H24N4O6c110714(9346)2724(2610)291581625(523(33)17(15)12(3)2829)1921(32)11(2)20(31)18(13(4)30)22(19)3516h783132H9H216H3t25m0s1
ZINC001547138805
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