Vitas-M small molecule compound
(4aR)-8-(2,4-dihydroxypyrido[2,3-d]pyrimidin-7-yl)-5,7-dihydroxy-3,4a,6-trimethyl-1-[4-(trifluoromethoxy)phenyl]-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL561691
SMILES Oc1nc(O)c2c(n1)nc(cc2)c1c(O)c(C)c(c2c1OC1=Cc3c(C(=O)[C@]21C)c(nn3c1ccc(cc1)OC(F)(F)F)C)O
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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 C30H20F3N5O7 MW 619.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H20F3N5O7/c1-11-22(39)20(16-9-8-15-26(34-16)35-28(43)36-27(15)42)24-21(23(11)40)29(3)18(44-24)10-17-19(25(29)41)12(2)37-38(17)13-4-6-14(7-5-13)45-30(31,32)33/h4-10,39-40H,1-3H3,(H2,34,35,36,42,43)/t29-/m0/s1InChIKey
PMCGKOMBMNWPQI-LJAQVGFWSA-NSynonyms
(4aR)8(24dihydroxypyrido(23d)pyrimidin7yl)57dihydroxy34a6trimethyl1(4(trifluoromethoxy)phenyl)(1)benzofuro(32f)indazol4one
(4aR)8(24dihydroxypyrido(23d)pyrimidin7yl)57dihydroxy34a6trimethyl1(4(trifluoromethoxy)phenyl)14adihydro4H(1)benzofuro(32f)indazol4one
145705048
InChI=1SC30H20F3N5O7c11122(39)20(16981526(3416)3528(43)3627(15)42)2421(23(11)40)29(3)18(4424)101719(25(29)41)12(2)3738(17)134614(7513)4530(3132)33h4103940H13H3(H23435364243)t29m0s1
MFCD32650756
ZINC001848442942
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