Vitas-M small molecule compound
(4aR)-5,7-dihydroxy-8-{4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-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
STL551961
SMILES Cc1c(O)c(c2ccc3c(n2)n(CCc2c[nH]c4c2cccc4)c(=O)nc3O)c2c(c1O)[C@]1(C)C(=Cc3c(C1=O)c(C)nn3c1ccccc1)O2
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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 C39H30N6O6 MW 678.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H30N6O6/c1-19-32(46)30(26-14-13-24-36(41-26)44(38(50)42-37(24)49)16-15-21-18-40-25-12-8-7-11-23(21)25)34-31(33(19)47)39(3)28(51-34)17-27-29(35(39)48)20(2)43-45(27)22-9-5-4-6-10-22/h4-14,17-18,40,46-47H,15-16H2,1-3H3,(H,42,49,50)/t39-/m0/s1InChIKey
USEZPBDDAUAQPV-KDXMTYKHSA-NSynonyms
(4aR)57dihydroxy8(4hydroxy1(2(1Hindol3yl)ethyl)2oxo12dihydropyrido(23d)pyrimidin7yl)34a6trimethyl1phenyl14adihydro4H(1)benzofuro(32f)indazol4one
135640279
7((4~(a)~(R))57dihydroxy34~(a)6trimethyl4oxo1phenyl(1)benzofuro(32f)indazol8yl)1(2(1~(H)indol3yl)ethyl)pyrido(23d)pyrimidine24dione
InChI=1SC39H30N6O6c11932(46)30(2614132436(4126)44(38(50)4237(24)49)16152118402512871123(21)25)3431(33(19)47)39(3)28(5134)172729(35(39)48)20(2)4345(27)2295461022h4141718404647H1516H213H3(H424950)t39m0s1
ZINC001772493044
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