Vitas-M small molecule compound
(4aR)-5,7-dihydroxy-8-[4-hydroxy-1-(3-methylbutyl)-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
STL561961
SMILES CC(CCn1c(=O)nc(c2c1nc(cc2)c1c(O)c(C)c(c2c1OC1=Cc3c(C(=O)[C@]21C)c(nn3c1ccccc1)C)O)O)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 C34H31N5O6 MW 605.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31N5O6/c1-16(2)13-14-38-31-20(32(43)36-33(38)44)11-12-21(35-31)25-27(40)17(3)28(41)26-29(25)45-23-15-22-24(30(42)34(23,26)5)18(4)37-39(22)19-9-7-6-8-10-19/h6-12,15-16,40-41H,13-14H2,1-5H3,(H,36,43,44)/t34-/m0/s1InChIKey
UKEKHAKPKKKXHD-UMSFTDKQSA-NSynonyms
(4aR)57dihydroxy8(4hydroxy1(3methylbutyl)2oxo12dihydropyrido(23d)pyrimidin7yl)34a6trimethyl1phenyl14adihydro4H(1)benzofuro(32f)indazol4one
145705314
7((4aR)57dihydroxy34a6trimethyl4oxo1phenyl(1)benzofuro(32f)indazol8yl)1(3methylbutyl)pyrido(23d)pyrimidine24dione
InChI=1SC34H31N5O6c116(2)1314383120(32(43)3633(38)44)111221(3531)2527(40)17(3)28(41)2629(25)4523152224(30(42)34(2326)5)18(4)3739(22)1997681019h61215164041H1314H215H3(H364344)t34m0s1
MFCD32651019
ZINC001848443462
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