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]-1-(4-methoxyphenyl)-3,4a,6-trimethyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL561934
SMILES COc1ccc(cc1)n1nc(c2c1C=C1Oc3c([C@]1(C2=O)C)c(O)c(c(c3c1ccc2c(n1)n(CCC(C)C)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 C35H33N5O7 MW 635.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H33N5O7/c1-16(2)13-14-39-32-21(33(44)37-34(39)45)11-12-22(36-32)26-28(41)17(3)29(42)27-30(26)47-24-15-23-25(31(43)35(24,27)5)18(4)38-40(23)19-7-9-20(46-6)10-8-19/h7-12,15-16,41-42H,13-14H2,1-6H3,(H,37,44,45)/t35-/m0/s1InChIKey
ROBWQHGFUUDUCI-DHUJRADRSA-NSynonyms
(4aR)57dihydroxy8(4hydroxy1(3methylbutyl)2oxo12dihydropyrido(23d)pyrimidin7yl)1(4methoxyphenyl)34a6trimethyl14adihydro4H(1)benzofuro(32f)indazol4one
(4aR)57dihydroxy8(4hydroxy1(3methylbutyl)2oxopyrido(23d)pyrimidin7yl)1(4methoxyphenyl)34a6trimethyl(1)benzofuro(32f)indazol4one
145705288
InChI=1SC35H33N5O7c116(2)1314393221(33(44)3734(39)45)111222(3632)2628(41)17(3)29(42)2730(26)4724152325(31(43)35(2427)5)18(4)3840(23)197920(466)10819h71215164142H1314H216H3(H374445)t35m0s1
MFCD32650992
ZINC001848443433
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