Vitas-M small molecule compound
(4aR)-5,7-dihydroxy-8-{4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-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
STL551732
SMILES COc1ccc2c(c1)c(CCn1c(=O)nc(c3c1nc(cc3)c1c(O)c(C)c(c3c1OC1=Cc4c(C(=O)[C@]31C)c(nn4c1ccccc1)C)O)O)c[nH]2
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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 C40H32N6O7 MW 708.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H32N6O7/c1-19-33(47)31(35-32(34(19)48)40(3)29(53-35)17-28-30(36(40)49)20(2)44-46(28)22-8-6-5-7-9-22)27-13-11-24-37(42-27)45(39(51)43-38(24)50)15-14-21-18-41-26-12-10-23(52-4)16-25(21)26/h5-13,16-18,41,47-48H,14-15H2,1-4H3,(H,43,50,51)/t40-/m0/InChIKey
RGKUHQNWDVPOPV-FAIXQHPJSA-NSynonyms
(4aR)57dihydroxy8(4hydroxy1(2(5methoxy1Hindol3yl)ethyl)2oxo12dihydropyrido(23d)pyrimidin7yl)34a6trimethyl1phenyl14adihydro4H(1)benzofuro(32f)indazol4one
135640085
7((4~(a)~(R))57dihydroxy34~(a)6trimethyl4oxo1phenyl(1)benzofuro(32f)indazol8yl)1(2(5methoxy1~(H)indol3yl)ethyl)pyrido(23d)pyrimidine24dione
InChI=1SC40H32N6O7c11933(47)31(3532(34(19)48)40(3)29(5335)172830(36(40)49)20(2)4446(28)228657922)2713112437(4227)45(39(51)4338(24)50)151421184126121023(524)1625(21)26h5131618414748H1415H214H3(H435051)t40m0s1
ZINC001772492902
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