Vitas-M small molecule compound
(4aR)-5,7-dihydroxy-8-[4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-7-yl]-3,4a,6-trimethyl-1-phenyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL551896
SMILES COc1ccc(cc1)n1c(=O)nc(c2c1nc(cc2)c1c(O)c(C)c(c2c1OC1=Cc3c(C(=O)[C@]21C)c(nn3c1ccccc1)C)O)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 C36H27N5O7 MW 641.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H27N5O7/c1-17-29(42)27(23-15-14-22-33(37-23)40(35(46)38-34(22)45)19-10-12-21(47-4)13-11-19)31-28(30(17)43)36(3)25(48-31)16-24-26(32(36)44)18(2)39-41(24)20-8-6-5-7-9-20/h5-16,42-43H,1-4H3,(H,38,45,46)/t36-/m0/s1InChIKey
ZKOPJVYNANKIAE-BHVANESWSA-NSynonyms
(4~(a)~(R))57dihydroxy8(4hydroxy1(4methoxyphenyl)2oxopyrido(23d)pyrimidin7yl)34~(a)6trimethyl1phenyl(1)benzofuro(32f)indazol4one
(4aR)57dihydroxy8(4hydroxy1(4methoxyphenyl)2oxo12dihydropyrido(23d)pyrimidin7yl)34a6trimethyl1phenyl14adihydro4H(1)benzofuro(32f)indazol4one
135640225
InChI=1SC36H27N5O7c11729(42)27(2315142233(3723)40(35(46)3834(22)45)19101221(474)131119)3128(30(17)43)36(3)25(4831)162426(32(36)44)18(2)3941(24)208657920h5164243H14H3(H384546)t36m0s1
ZINC001772492919
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