Vitas-M small molecule compound

ethyl 4-(4-hydroxy-1-methyl-2-oxo-1,2,6,7-tetrahydro-8H-imidazo[2,1-f]purin-8-yl)benzoate

Catalog ID
STK595343
SMILES CCOC(=O)c1ccc(cc1)N1CCn2c1nc1c2c(O)nc(=O)n1C

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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 C17H17N5O4 MW 355.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O4/c1-3-26-15(24)10-4-6-11(7-5-10)21-8-9-22-12-13(18-16(21)22)20(2)17(25)19-14(12)23/h4-7H,3,8-9H2,1-2H3,(H,19,23,25)
InChIKey
RVORGYUTTMEPAR-UHFFFAOYSA-N
Synonyms
893959-79-0
893959790
CCOC(=O)C1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)NC(=O)N4C
ethyl4(4hydroxy1methyl2oxo1267tetrahydro8Himidazo(21f)purin8yl)benzoate
ETHYL4(4METHYL13DIOXO78DIHYDROPURINO(78A)IMIDAZOL6YL)BENZOATE
InChI=1SC17H17N5O4c132615(24)104611(7510)2189221213(1816(21)22)20(2)17(25)1914(12)23h47H389H212H3(H192325)
MFCD07198843
ZINC000013816483
ZINC13816483

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.