Vitas-M small molecule compound
ethyl 6-{[1,3-dimethyl-2,6-dioxo-8-(propylamino)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK693622
SMILES CCCNc1nc2c(n1CC1=C(C(=O)OCC)C(NC(=O)N1C)c1ccccc1)c(=O)n(c(=O)n2C)C
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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 C25H31N7O5 MW 509.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N7O5/c1-6-13-26-23-28-20-19(21(33)31(5)25(36)30(20)4)32(23)14-16-17(22(34)37-7-2)18(27-24(35)29(16)3)15-11-9-8-10-12-15/h8-12,18H,6-7,13-14H2,1-5H3,(H,26,28)(H,27,35)InChIKey
SNCKPKINIHDDJM-UHFFFAOYSA-NSynonyms
CCCNC1=NC2=C(N1CC3=C(C(NC(=O)N3C)C4=CC=CC=C4)C(=O)OCC)C(=O)N(C(=O)N2C)C
ethyl4((13dimethyl26dioxo8(propylamino)purin7yl)methyl)3methyl2oxo6phenyl16dihydropyrimidine5carboxylate
ethyl6((13dimethyl26dioxo8(propylamino)1236tetrahydro7Hpurin7yl)methyl)1methyl2oxo4phenyl1234tetrahydropyrimidine5carboxylate
InChI=1SC25H31N7O5c16132623282019(21(33)31(5)25(36)30(20)4)32(23)141617(22(34)3772)18(2724(35)29(16)3)151198101215h81218H671314H215H3(H2628)(H2735)
MFCD12033707
ZINC000015107509
ZINC000015107512
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