Vitas-M small molecule compound

(4aR)-5,7-dihydroxy-8-[4-hydroxy-1-(2-methoxyethyl)-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
STL562010
SMILES COCCn1c(=O)nc(c2c1nc(cc2)c1c(O)c(C)c(c2c1OC1=Cc3c(C(=O)[C@]21C)c(nn3c1ccc(cc1)OC(F)(F)F)C)O)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 C33H26F3N5O8 MW 677.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26F3N5O8/c1-14-25(42)23(19-10-9-18-29(37-19)40(11-12-47-4)31(46)38-30(18)45)27-24(26(14)43)32(3)21(48-27)13-20-22(28(32)44)15(2)39-41(20)16-5-7-17(8-6-16)49-33(34,35)36/h5-10,13,42-43H,11-12H2,1-4H3,(H,38,45,46)/t32-/m0/s1
InChIKey
QISFDMWSQOZUPQ-YTTGMZPUSA-N
Synonyms

(4aR)57dihydroxy8(4hydroxy1(2methoxyethyl)2oxo12dihydropyrido(23d)pyrimidin7yl)34a6trimethyl1(4(trifluoromethoxy)phenyl)14adihydro4H(1)benzofuro(32f)indazol4one
(4aR)57dihydroxy8(4hydroxy1(2methoxyethyl)2oxopyrido(23d)pyrimidin7yl)34a6trimethyl1(4(trifluoromethoxy)phenyl)(1)benzofuro(32f)indazol4one
145705362
InChI=1SC33H26F3N5O8c11425(42)23(191091829(3719)40(1112474)31(46)3830(18)45)2724(26(14)43)32(3)21(4827)132022(28(32)44)15(2)3941(20)165717(8616)4933(3435)36h510134243H1112H214H3(H384546)t32m0s1
MFCD32651064
ZINC001848443421

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Available files

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