Vitas-M small molecule compound
methyl [8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate
Catalog ID
STK932953
SMILES COC(=O)Cn1c(=O)n(C)c2c(c1=O)n(CCC(C)C)c(n2)n1nc(cc1C)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 C19H26N6O4 MW 402.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H26N6O4/c1-11(2)7-8-23-15-16(20-18(23)25-13(4)9-12(3)21-25)22(5)19(28)24(17(15)27)10-14(26)29-6/h9,11H,7-8,10H2,1-6H3InChIKey
MTKFYBBSIFKNPM-UHFFFAOYSA-NSynonyms
1014029-30-11014029301
CC1=CC(=NN1C2=NC3=C(N2CCC(C)C)C(=O)N(C(=O)N3C)CC(=O)OC)C
InChI=1SC19H26N6O4c111(2)78231516(2018(23)2513(4)912(3)2125)22(5)19(28)24(17(15)27)1014(26)296h911H7810H216H3
methyl(8(35dimethyl1Hpyrazol1yl)3methyl7(3methylbutyl)26dioxo2367tetrahydro1Hpurin1yl)acetate
methyl2(8(35dimethyl1Hpyrazol1yl)7isopentyl3methyl26dioxo2367tetrahydro1Hpurin1yl)acetate
methyl2(8(35dimethylpyrazol1yl)3methyl7(3methylbutyl)26dioxopurin1yl)acetate
MFCD09978104
ZINC000012231660
ZINC12231660
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