Vitas-M small molecule compound
ethyl 6-({8-[(4-hydroxyphenyl)amino]-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
STK693255
SMILES CCOC(=O)C1=C(Cn2c(Nc3ccc(cc3)O)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 C29H31N7O6 MW 573.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N7O6/c1-6-42-26(39)21-20(33(3)28(40)31-22(21)17-9-7-16(2)8-10-17)15-36-23-24(34(4)29(41)35(5)25(23)38)32-27(36)30-18-11-13-19(37)14-12-18/h7-14,22,37H,6,15H2,1-5H3,(H,30,32)(H,31,40)InChIKey
OJJDJOBCTKUGLN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)C)C)CN3C4=C(N=C3NC5=CC=C(C=C5)O)N(C(=O)N(C4=O)C)C
ethyl4((8(4hydroxyanilino)13dimethyl26dioxopurin7yl)methyl)3methyl6(4methylphenyl)2oxo16dihydropyrimidine5carboxylate
ethyl6((8((4hydroxyphenyl)amino)13dimethyl26dioxo1236tetrahydro7Hpurin7yl)methyl)1methyl4(4methylphenyl)2oxo1234tetrahydropyrimidine5carboxylate
InChI=1SC29H31N7O6c164226(39)2120(33(3)28(40)3122(21)179716(2)81017)15362324(34(4)29(41)35(5)25(23)38)3227(36)3018111319(37)141218h7142237H615H215H3(H3032)(H3140)
MFCD10039358
ZINC000100239389
ZINC000100239394
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