Vitas-M small molecule compound
ethyl 6-[(8-bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]-1-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK690679
SMILES CCOC(=O)C1=C(Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)N(C(=O)NC1c1ccc(cc1)C)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 C23H25BrN6O5 MW 545.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25BrN6O5/c1-6-35-20(32)15-14(27(3)22(33)25-16(15)13-9-7-12(2)8-10-13)11-30-17-18(26-21(30)24)28(4)23(34)29(5)19(17)31/h7-10,16H,6,11H2,1-5H3,(H,25,33)InChIKey
ACGOGXSZPUJRCQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)C)C)CN3C4=C(N=C3Br)N(C(=O)N(C4=O)C)C
ethyl4((8bromo13dimethyl26dioxopurin7yl)methyl)3methyl6(4methylphenyl)2oxo16dihydropyrimidine5carboxylate
ethyl6((8bromo13dimethyl26dioxo1236tetrahydro7Hpurin7yl)methyl)1methyl4(4methylphenyl)2oxo1234tetrahydropyrimidine5carboxylate
InChI=1SC23H25BrN6O5c163520(32)1514(27(3)22(33)2516(15)139712(2)81013)11301718(2621(30)24)28(4)23(34)29(5)19(17)31h71016H611H215H3(H2533)
MFCD09063914
ZINC000100228100
ZINC000100228102
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