Vitas-M small molecule compound
(4aR)-5,7-dihydroxy-8-{4-hydroxy-1-[2-(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
STL561602
SMILES Oc1c(c2ccc3c(n2)n(CCc2c[nH]c4c2cccc4)c(=O)nc3O)c2OC3=Cc4c(C(=O)[C@@]3(c2c(c1C)O)C)c(nn4c1ccc(cc1)OC(F)(F)F)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 C40H29F3N6O7 MW 762.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H29F3N6O7/c1-18-32(50)30(26-13-12-24-36(45-26)48(38(54)46-37(24)53)15-14-20-17-44-25-7-5-4-6-23(20)25)34-31(33(18)51)39(3)28(55-34)16-27-29(35(39)52)19(2)47-49(27)21-8-10-22(11-9-21)56-40(41,42)43/h4-13,16-17,44,50-51H,14-15H2,1-3H3,(H,46,53,5InChIKey
NXIBIMSHPVIXLN-KDXMTYKHSA-NSynonyms
(4AR)57DIHYDROXY8(4HYDROXY1(2(1HINDOL3YL)ETHYL)2OXO12DIHYDROPYRIDO(23D)PYRIMIDIN7YL)34A6TRIMETHYL1(4(TRIFLUOROMETHOXY)PHENYL)14ADIHYDRO4H(1)BENZOFURO(32F)INDAZOL4O
(4aR)57dihydroxy8(4hydroxy1(2(1Hindol3yl)ethyl)2oxo12dihydropyrido(23d)pyrimidin7yl)34a6trimethyl1(4(trifluoromethoxy)phenyl)14adihydro4H(1)benzofuro(32f)indazol4one
(4aR)57dihydroxy8(4hydroxy1(2(1Hindol3yl)ethyl)2oxopyrido(23d)pyrimidin7yl)34a6trimethyl1(4(trifluoromethoxy)phenyl)(1)benzofuro(32f)indazol4one
145704959
InChI=1SC40H29F3N6O7c11832(50)30(2613122436(4526)48(38(54)4637(24)53)151420174425754623(20)25)3431(33(18)51)39(3)28(5534)162729(35(39)52)19(2)4749(27)2181022(11921)5640(4142)43h4131617445051H1415H213H3(H465354)t39m0s1
MFCD32650667
ZINC001848442901
Check stock
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Check stock on Vitas-MAvailable files
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