Vitas-M small molecule compound
(4aR)-5,7-dihydroxy-8-[4-hydroxy-2-oxo-1-(2-phenylethyl)-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
STL551982
SMILES Oc1c(c2ccc3c(n2)n(CCc2ccccc2)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 C37H29N5O6 MW 639.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H29N5O6/c1-19-30(43)28(24-15-14-23-34(38-24)41(36(47)39-35(23)46)17-16-21-10-6-4-7-11-21)32-29(31(19)44)37(3)26(48-32)18-25-27(33(37)45)20(2)40-42(25)22-12-8-5-9-13-22/h4-15,18,43-44H,16-17H2,1-3H3,(H,39,46,47)/t37-/m0/s1InChIKey
VDXVTLSHKMGYCG-QNGWXLTQSA-NSynonyms
(4aR)57dihydroxy8(4hydroxy2oxo1(2phenylethyl)12dihydropyrido(23d)pyrimidin7yl)34a6trimethyl1phenyl14adihydro4H(1)benzofuro(32f)indazol4one
135640296
7((4~(a)~(R))57dihydroxy34~(a)6trimethyl4oxo1phenyl(1)benzofuro(32f)indazol8yl)1(2phenylethyl)pyrido(23d)pyrimidine24dione
InChI=1SC37H29N5O6c11930(43)28(2415142334(3824)41(36(47)3935(23)46)171621106471121)3229(31(19)44)37(3)26(4832)182527(33(37)45)20(2)4042(25)22128591322h415184344H1617H213H3(H394647)t37m0s1
ZINC001772493051
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