Vitas-M small molecule compound
ethyl 4-[7-(4-heptylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]benzoate
Catalog ID
STK689764
SMILES CCCCCCCc1ccc(cc1)c1cn2c(n1c1ccc(cc1)C(=O)OCC)nc1c2c(=O)n(C)c(=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 C31H35N5O4 MW 541.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N5O4/c1-5-7-8-9-10-11-21-12-14-22(15-13-21)25-20-35-26-27(33(3)31(39)34(4)28(26)37)32-30(35)36(25)24-18-16-23(17-19-24)29(38)40-6-2/h12-20H,5-11H2,1-4H3InChIKey
GDMYQCHFHVPIEH-UHFFFAOYSA-NSynonyms
CCCCCCCC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2C5=CC=C(C=C5)C(=O)OCC)N(C(=O)N(C4=O)C)C
ethyl4(7(4heptylphenyl)13dimethyl24dioxo1234tetrahydro8Himidazo(21f)purin8yl)benzoate
ethyl4(7(4heptylphenyl)24dimethyl13dioxopurino(78a)imidazol6yl)benzoate
InChI=1SC31H35N5O4c15789101121121422(151321)2520352627(33(3)31(39)34(4)28(26)37)3230(35)36(25)24181623(171924)29(38)4062h1220H511H214H3
MFCD09062821
ZINC000100225041
ZINC100225041
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