Vitas-M small molecule compound
ethyl 4-{1-methyl-2,4-dioxo-3-[(2E)-3-phenylprop-2-en-1-yl]-1,2,3,4,6,7-hexahydro-8H-imidazo[2,1-f]purin-8-yl}benzoate
Catalog ID
STK582865
SMILES CCOC(=O)c1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)C/C=C/c1ccccc1
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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 C26H25N5O4 MW 471.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O4/c1-3-35-24(33)19-11-13-20(14-12-19)29-16-17-30-21-22(27-25(29)30)28(2)26(34)31(23(21)32)15-7-10-18-8-5-4-6-9-18/h4-14H,3,15-17H2,1-2H3/b10-7+InChIKey
MENUIGSTTDBSRI-JXMROGBWSA-NSynonyms
893962-04-4(E)ethyl4(3cinnamyl1methyl24dioxo3467tetrahydro1Himidazo(21f)purin8(2H)yl)benzoate
893962044
CCOC(=O)C1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC=CC5=CC=CC=C5
CCOC(=O)c1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)CC=Cc1ccccc1
ethyl4(1methyl24dioxo3((2E)3phenylprop2en1yl)123467hexahydro8Himidazo(21f)purin8yl)benzoate
ETHYL4(3((2E)3PHENYLPROP2ENYL)1METHYL24DIOXO135TRIHYDROIMIDAZOLIDINO(12H)PURIN8YL)BENZOATE
ETHYL4(4METHYL13DIOXO2((E)3PHENYLPROP2ENYL)78DIHYDROPURINO(78A)IMIDAZOL6YL)BENZOATE
InChI=1SC26H25N5O4c133524(33)19111320(141219)291617302122(2725(29)30)28(2)26(34)31(23(21)32)15710188546918h414H31517H212H3b107+
MFCD06605228
ZINC000009124071
ZINC09124071
ZINC9124071
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.