Vitas-M small molecule compound
(4aR)-8-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2-thioxo-1,2-dihydropyrido[2,3-d]pyrimidin-7-yl}-5,7-dihydroxy-1-(4-methoxyphenyl)-3,4a,6-trimethyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL562055
SMILES COc1ccc(cc1)n1nc(c2c1C=C1Oc3c([C@]1(C2=O)C)c(O)c(c(c3c1ccc2c(n1)n(CCc1ccc(c(c1)OC)OC)c(=S)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 C40H35N5O8S MW 745.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H35N5O8S/c1-19-33(46)31(25-13-12-24-37(41-25)44(39(54)42-38(24)49)16-15-21-7-14-27(51-5)28(17-21)52-6)35-32(34(19)47)40(3)29(53-35)18-26-30(36(40)48)20(2)43-45(26)22-8-10-23(50-4)11-9-22/h7-14,17-18,46-47H,15-16H2,1-6H3,(H,42,49,54)/t40-/m0/s1InChIKey
VYXIKTPYJZXXCY-FAIXQHPJSA-NSynonyms
(4aR)8(1(2(34dimethoxyphenyl)ethyl)4hydroxy2sulfanylidenepyrido(23d)pyrimidin7yl)57dihydroxy1(4methoxyphenyl)34a6trimethyl(1)benzofuro(32f)indazol4one
(4aR)8(1(2(34dimethoxyphenyl)ethyl)4hydroxy2thioxo12dihydropyrido(23d)pyrimidin7yl)57dihydroxy1(4methoxyphenyl)34a6trimethyl14adihydro4H(1)benzofuro(32f)indazol4one
145705406
InChI=1SC40H35N5O8Sc11933(46)31(2513122437(4125)44(39(54)4238(24)49)16152171427(515)28(1721)526)3532(34(19)47)40(3)29(5335)182630(36(40)48)20(2)4345(26)2281023(504)11922h71417184647H1516H216H3(H424954)t40m0s1
MFCD32651109
ZINC001848443485
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