Vitas-M small molecule compound
ethyl 6-({1,3-dimethyl-8-[(4-methylphenyl)amino]-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
STK693254
SMILES CCOC(=O)C1=C(Cn2c(Nc3ccc(cc3)C)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 C30H33N7O5 MW 571.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N7O5/c1-7-42-27(39)22-21(34(4)29(40)32-23(22)19-12-8-17(2)9-13-19)16-37-24-25(35(5)30(41)36(6)26(24)38)33-28(37)31-20-14-10-18(3)11-15-20/h8-15,23H,7,16H2,1-6H3,(H,31,33)(H,32,40)InChIKey
PJQNHUXXVOQIJJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)C)C)CN3C4=C(N=C3NC5=CC=C(C=C5)C)N(C(=O)N(C4=O)C)C
ethyl4((13dimethyl8(4methylanilino)26dioxopurin7yl)methyl)3methyl6(4methylphenyl)2oxo16dihydropyrimidine5carboxylate
ethyl6((13dimethyl8((4methylphenyl)amino)26dioxo1236tetrahydro7Hpurin7yl)methyl)1methyl4(4methylphenyl)2oxo1234tetrahydropyrimidine5carboxylate
InChI=1SC30H33N7O5c174227(39)2221(34(4)29(40)3223(22)1912817(2)91319)16372425(35(5)30(41)36(6)26(24)38)3328(37)3120141018(3)111520h81523H716H216H3(H3133)(H3240)
MFCD10039357
ZINC000100239383
ZINC000100239386
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