Vitas-M small molecule compound
(4aR)-8-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-7-yl}-5,7-dihydroxy-3,4a,6-trimethyl-1-[4-(trifluoromethoxy)phenyl]-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL561706
SMILES COc1cc(ccc1OC)CCn1c(=O)nc(c2c1nc(cc2)c1c2OC3=Cc4c(C(=O)[C@@]3(c2c(c(c1O)C)O)C)c(nn4c1ccc(cc1)OC(F)(F)F)C)O
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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 C40H32F3N5O9 MW 783.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H32F3N5O9/c1-18-32(49)30(24-12-11-23-36(44-24)47(38(53)45-37(23)52)15-14-20-6-13-26(54-4)27(16-20)55-5)34-31(33(18)50)39(3)28(56-34)17-25-29(35(39)51)19(2)46-48(25)21-7-9-22(10-8-21)57-40(41,42)43/h6-13,16-17,49-50H,14-15H2,1-5H3,(H,45,52,53)/InChIKey
IJBWICMIULWGGO-KDXMTYKHSA-NSynonyms
(4AR)8(1(2(34DIMETHOXYPHENYL)ETHYL)4HYDROXY2OXO12DIHYDROPYRIDO(23D)PYRIMIDIN7YL)57DIHYDROXY34A6TRIMETHYL1(4(TRIFLUOROMETHOXY)PHENYL)14ADIHYDRO4H(1)BENZOFURO(32F)INDAZ
(4aR)8(1(2(34dimethoxyphenyl)ethyl)4hydroxy2oxo12dihydropyrido(23d)pyrimidin7yl)57dihydroxy34a6trimethyl1(4(trifluoromethoxy)phenyl)14adihydro4H(1)benzofuro(32f)indazol4one
(4aR)8(1(2(34dimethoxyphenyl)ethyl)4hydroxy2oxopyrido(23d)pyrimidin7yl)57dihydroxy34a6trimethyl1(4(trifluoromethoxy)phenyl)(1)benzofuro(32f)indazol4one
145705062
InChI=1SC40H32F3N5O9c11832(49)30(2412112336(4424)47(38(53)4537(23)52)15142061326(544)27(1620)555)3431(33(18)50)39(3)28(5634)172529(35(39)51)19(2)4648(25)217922(10821)5740(4142)43h61316174950H1415H215H3(H455253)t39m0s1
MFCD32650771
ZINC001848442759
Check stock
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Check stock on Vitas-MAvailable files
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