Vitas-M small molecule compound
(4aR)-5,7-dihydroxy-8-(4-hydroxy-1-methyl-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
STL561665
SMILES Cc1nn(c2c1C(=O)[C@]1(C(=C2)Oc2c1c(O)c(C)c(c2c1ccc2c(n1)n(C)c(=O)nc2O)O)C)c1ccc(cc1)OC(F)(F)F
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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 C31H22F3N5O7 MW 633.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22F3N5O7/c1-12-23(40)21(17-10-9-16-27(35-17)38(4)29(44)36-28(16)43)25-22(24(12)41)30(3)19(45-25)11-18-20(26(30)42)13(2)37-39(18)14-5-7-15(8-6-14)46-31(32,33)34/h5-11,40-41H,1-4H3,(H,36,43,44)/t30-/m0/s1InChIKey
GRZDOCWQLUNJGL-PMERELPUSA-NSynonyms
(4aR)57dihydroxy8(4hydroxy1methyl2oxo12dihydropyrido(23d)pyrimidin7yl)34a6trimethyl1(4(trifluoromethoxy)phenyl)14adihydro4H(1)benzofuro(32f)indazol4one
(4aR)57dihydroxy8(4hydroxy1methyl2oxopyrido(23d)pyrimidin7yl)34a6trimethyl1(4(trifluoromethoxy)phenyl)(1)benzofuro(32f)indazol4one
145705022
InChI=1SC31H22F3N5O7c11223(40)21(171091627(3517)38(4)29(44)3628(16)43)2522(24(12)41)30(3)19(4525)111820(26(30)42)13(2)3739(18)145715(8614)4631(3233)34h5114041H14H3(H364344)t30m0s1
MFCD32650730
ZINC001848442713
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