Vitas-M small molecule compound
(4aR)-8-(1-benzyl-4-hydroxy-2-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-7-yl)-5,7-dihydroxy-3,4a,6-trimethyl-1-phenyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL552376
SMILES Oc1c(c2ccc3c(n2)n(Cc2ccccc2)c(=O)nc3O)c2OC3=Cc4c(C(=O)[C@@]3(c2c(c1C)O)C)c(nn4c1ccccc1)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 C36H27N5O6 MW 625.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H27N5O6/c1-18-29(42)27(23-15-14-22-33(37-23)40(35(46)38-34(22)45)17-20-10-6-4-7-11-20)31-28(30(18)43)36(3)25(47-31)16-24-26(32(36)44)19(2)39-41(24)21-12-8-5-9-13-21/h4-16,42-43H,17H2,1-3H3,(H,38,45,46)/t36-/m0/s1InChIKey
XEGCJSCKZYOQIT-BHVANESWSA-NSynonyms
(4aR)8(1benzyl4hydroxy2oxo12dihydropyrido(23d)pyrimidin7yl)57dihydroxy34a6trimethyl1phenyl14adihydro4H(1)benzofuro(32f)indazol4one
135640621
7((4~(a)~(R))57dihydroxy34~(a)6trimethyl4oxo1phenyl(1)benzofuro(32f)indazol8yl)1benzylpyrido(23d)pyrimidine24dione
InChI=1SC36H27N5O6c11829(42)27(2315142233(3723)40(35(46)3834(22)45)1720106471120)3128(30(18)43)36(3)25(4731)162426(32(36)44)19(2)3941(24)21128591321h4164243H17H213H3(H384546)t36m0s1
ZINC001772493063
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