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-[4-(trifluoromethoxy)phenyl]-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL562094
SMILES COc1ccc2c(c1)c(c[nH]2)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 C41H31F3N6O8 MW 792.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H31F3N6O8/c1-18-33(51)31(27-12-10-24-37(46-27)49(39(55)47-38(24)54)14-13-20-17-45-26-11-9-23(56-4)15-25(20)26)35-32(34(18)52)40(3)29(57-35)16-28-30(36(40)53)19(2)48-50(28)21-5-7-22(8-6-21)58-41(42,43)44/h5-12,15-17,45,51-52H,13-14H2,1-4H3,(H,4InChIKey
IBWYTTIPHUBXSK-FAIXQHPJSA-NSynonyms
(4AR)57DIHYDROXY8(4HYDROXY1(2(5METHOXY1HINDOL3YL)ETHYL)2OXO12DIHYDROPYRIDO(23D)PYRIMIDIN7YL)34A6TRIMETHYL1(4(TRIFLUOROMETHOXY)PHENYL)14ADIHYDRO4H(1)BENZOFURO(32F)I
(4aR)57dihydroxy8(4hydroxy1(2(5methoxy1Hindol3yl)ethyl)2oxo12dihydropyrido(23d)pyrimidin7yl)34a6trimethyl1(4(trifluoromethoxy)phenyl)14adihydro4H(1)benzofuro(32f)indazol4one
(4aR)57dihydroxy8(4hydroxy1(2(5methoxy1Hindol3yl)ethyl)2oxopyrido(23d)pyrimidin7yl)34a6trimethyl1(4(trifluoromethoxy)phenyl)(1)benzofuro(32f)indazol4one
145705445
InChI=1SC41H31F3N6O8c11833(51)31(2712102437(4627)49(39(55)4738(24)54)14132017452611923(564)1525(20)26)3532(34(18)52)40(3)29(5735)162830(36(40)53)19(2)4850(28)215722(8621)5841(4243)44h5121517455152H1314H214H3(H475455)t40m0s1
MFCD32651148
NDAZOL4ONE
ZINC001848443334
Check stock
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