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-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK690360
SMILES CCOC(=O)C1=C(Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)N(C(=O)NC1c1ccccc1)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 C22H23BrN6O5 MW 531.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrN6O5/c1-5-34-19(31)14-13(26(2)21(32)24-15(14)12-9-7-6-8-10-12)11-29-16-17(25-20(29)23)27(3)22(33)28(4)18(16)30/h6-10,15H,5,11H2,1-4H3,(H,24,32)InChIKey
AKBNTCWQSDMOMS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C)CN3C4=C(N=C3Br)N(C(=O)N(C4=O)C)C
ethyl4((8bromo13dimethyl26dioxopurin7yl)methyl)3methyl2oxo6phenyl16dihydropyrimidine5carboxylate
ethyl6((8bromo13dimethyl26dioxo1236tetrahydro7Hpurin7yl)methyl)1methyl2oxo4phenyl1234tetrahydropyrimidine5carboxylate
InChI=1SC22H23BrN6O5c153419(31)1413(26(2)21(32)2415(14)1297681012)11291617(2520(29)23)27(3)22(33)28(4)18(16)30h61015H511H214H3(H2432)
MFCD09063544
ZINC000100227230
ZINC000100227235
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