Vitas-M small molecule compound
(4aR)-5,7-dihydroxy-8-[4-hydroxy-2-oxo-1-(tetrahydrofuran-2-ylmethyl)-1,2-dihydropyrido[2,3-d]pyrimidin-7-yl]-1-(4-methoxyphenyl)-3,4a,6-trimethyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL561902
SMILES COc1ccc(cc1)n1nc(c2c1C=C1Oc3c([C@]1(C2=O)C)c(O)c(c(c3c1ccc2c(n1)n(CC1CCCO1)c(=O)nc2O)O)C)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 C35H31N5O8 MW 649.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H31N5O8/c1-16-28(41)26(22-12-11-21-32(36-22)39(34(45)37-33(21)44)15-20-6-5-13-47-20)30-27(29(16)42)35(3)24(48-30)14-23-25(31(35)43)17(2)38-40(23)18-7-9-19(46-4)10-8-18/h7-12,14,20,41-42H,5-6,13,15H2,1-4H3,(H,37,44,45)/t20?,35-/m0/s1InChIKey
XSWBQEMIKBTWBD-TZXZTQBWSA-NSynonyms
(4aR)57dihydroxy8(4hydroxy2oxo1(oxolan2ylmethyl)pyrido(23d)pyrimidin7yl)1(4methoxyphenyl)34a6trimethyl(1)benzofuro(32f)indazol4one
(4aR)57dihydroxy8(4hydroxy2oxo1(tetrahydrofuran2ylmethyl)12dihydropyrido(23d)pyrimidin7yl)1(4methoxyphenyl)34a6trimethyl14adihydro4H(1)benzofuro(32f)indazol4one
145705256
InChI=1SC35H31N5O8c11628(41)26(2212112132(3622)39(34(45)3733(21)44)152065134720)3027(29(16)42)35(3)24(4830)142325(31(35)43)17(2)3840(23)187919(464)10818h71214204142H561315H214H3(H374445)t20?35m0s1
MFCD32650961
ZINC001848443514
ZINC001848443515
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