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-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK690361
SMILES CCOC(=O)C1=C(Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)N(C(=O)NC1c1cccc(c1)[N+](=O)[O-])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 C22H22BrN7O7 MW 576.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrN7O7/c1-5-37-19(32)14-13(10-29-16-17(25-20(29)23)27(3)22(34)28(4)18(16)31)26(2)21(33)24-15(14)11-7-6-8-12(9-11)30(35)36/h6-9,15H,5,10H2,1-4H3,(H,24,33)InChIKey
LQCQNSDUTUQFKR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)N(C(=O)NC1c1cccc(c1)(N+)(=O)(O))C
CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)(N+)(=O)(O))C)CN3C4=C(N=C3Br)N(C(=O)N(C4=O)C)C
ethyl4((8bromo13dimethyl26dioxopurin7yl)methyl)3methyl6(3nitrophenyl)2oxo16dihydropyrimidine5carboxylate
ethyl6((8bromo13dimethyl26dioxo1236tetrahydro7Hpurin7yl)methyl)1methyl4(3nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
InChI=1SC22H22BrN7O7c153719(32)1413(10291617(2520(29)23)27(3)22(34)28(4)18(16)31)26(2)21(33)2415(14)1176812(911)30(35)36h6915H510H214H3(H2433)
MFCD09063545
ZINC000100227240
ZINC000100227243
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