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]-4-(4-methoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK690362
SMILES CCOC(=O)C1=C(Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)N(C(=O)NC1c1ccc(cc1)OC)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 C23H25BrN6O6 MW 561.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25BrN6O6/c1-6-36-20(32)15-14(27(2)22(33)25-16(15)12-7-9-13(35-5)10-8-12)11-30-17-18(26-21(30)24)28(3)23(34)29(4)19(17)31/h7-10,16H,6,11H2,1-5H3,(H,25,33)InChIKey
QDLVWRCDZZBCQZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)OC)C)CN3C4=C(N=C3Br)N(C(=O)N(C4=O)C)C
ethyl4((8bromo13dimethyl26dioxopurin7yl)methyl)6(4methoxyphenyl)3methyl2oxo16dihydropyrimidine5carboxylate
ethyl6((8bromo13dimethyl26dioxo1236tetrahydro7Hpurin7yl)methyl)4(4methoxyphenyl)1methyl2oxo1234tetrahydropyrimidine5carboxylate
InChI=1SC23H25BrN6O6c163620(32)1514(27(2)22(33)2516(15)127913(355)10812)11301718(2621(30)24)28(3)23(34)29(4)19(17)31h71016H611H215H3(H2533)
MFCD09063546
ZINC000100227250
ZINC000100227255
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