Vitas-M small molecule compound
(4aR)-8-acetyl-1-(2-chloro-9H-purin-6-yl)-5,7-dihydroxy-3,4a,6-trimethyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL566573
SMILES Clc1nc2[nH]cnc2c(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 C23H17ClN6O5 MW 492.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN6O5/c1-7-16(32)13(9(3)31)18-14(17(7)33)23(4)11(35-18)5-10-12(19(23)34)8(2)29-30(10)21-15-20(26-6-25-15)27-22(24)28-21/h5-6,32-33H,1-4H3,(H,25,26,27,28)/t23-/m0/s1InChIKey
NVQZYUZQJNDPOH-QHCPKHFHSA-NSynonyms
(4aR)8acetyl1(2chloro7Hpurin6yl)57dihydroxy34a6trimethyl(1)benzofuro(32f)indazol4one
(4aR)8acetyl1(2chloro9Hpurin6yl)57dihydroxy34a6trimethyl14adihydro4H(1)benzofuro(32f)indazol4one
(R)8acetyl1(2chloro9Hpurin6yl)57dihydroxy34a6trimethyl1Hbenzofuro(32f)indazol4(4aH)one
137950377
Clc1nc2(nH)cnc2c(n1)n1nc(c2c1C=C1Oc3c((C@)1(C2=O)C)c(O)c(c(c3C(=O)C)O)C)C
InChI=1SC23H17ClN6O5c1716(32)13(9(3)31)1814(17(7)33)23(4)11(3518)51012(19(23)34)8(2)2930(10)211520(2662515)2722(24)2821h563233H14H3(H25262728)t23m0s1
MFCD32652067
ZINC001547139345
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