Vitas-M small molecule compound
(4aR)-8-acetyl-5,7-dihydroxy-3,4a,6-trimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL551693
SMILES Cc1nn(c2c1C(=O)[C@]1(C(=C2)Oc2c1c(O)c(c(c2C(=O)C)O)C)C)c1ccc2n(n1)cnn2
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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 C23H18N6O5 MW 458.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N6O5/c1-9-19(31)17(11(3)30)21-18(20(9)32)23(4)13(34-21)7-12-16(22(23)33)10(2)26-29(12)15-6-5-14-25-24-8-28(14)27-15/h5-8,31-32H,1-4H3/t23-/m0/s1InChIKey
IGAVFNVNPHUKHD-QHCPKHFHSA-NSynonyms
(4~(a)~(R))8acetyl57dihydroxy34~(a)6trimethyl1((124)triazolo(43b)pyridazin6yl)(1)benzofuro(32f)indazol4one
(4aR)8acetyl57dihydroxy34a6trimethyl1((124)triazolo(43b)pyridazin6yl)14adihydro4H(1)benzofuro(32f)indazol4one
(R)1((124)triazolo(43b)pyridazin6yl)8acetyl57dihydroxy34a6trimethyl1Hbenzofuro(32f)indazol4(4aH)one
135640051
Cc1nn(c2c1C(=O)(C@)1(C(=C2)Oc2c1c(O)c(c(c2C(=O)C)O)C)C)c1ccc2n(n1)cnn2
InChI=1SC23H18N6O5c1919(31)17(11(3)30)2118(20(9)32)23(4)13(3421)71216(22(23)33)10(2)2629(12)1565142524828(14)2715h583132H14H3t23m0s1
ZINC001547139144
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