Vitas-M small molecule compound
2-[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]acetamide
Catalog ID
STK940369
SMILES CC(CCn1c(nc2c1c(=O)n(c(=O)n2C)CC(=O)N)n1nc(cc1C)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 C18H25N7O3 MW 387.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25N7O3/c1-10(2)6-7-23-14-15(20-17(23)25-12(4)8-11(3)21-25)22(5)18(28)24(16(14)27)9-13(19)26/h8,10H,6-7,9H2,1-5H3,(H2,19,26)InChIKey
FJRFZGGXXCLWIN-UHFFFAOYSA-NSynonyms
1014029-59-41014029594
2(8(35dimethyl1Hpyrazol1yl)3methyl7(3methylbutyl)26dioxo2367tetrahydro1Hpurin1yl)acetamide
2(8(35dimethyl1Hpyrazol1yl)7isopentyl3methyl26dioxo2367tetrahydro1Hpurin1yl)acetamide
2(8(35dimethylpyrazol1yl)3methyl7(3methylbutyl)26dioxopurin1yl)acetamide
CC1=CC(=NN1C2=NC3=C(N2CCC(C)C)C(=O)N(C(=O)N3C)CC(=O)N)C
InChI=1SC18H25N7O3c110(2)67231415(2017(23)2512(4)811(3)2125)22(5)18(28)24(16(14)27)913(19)26h810H679H215H3(H21926)
MFCD09978105
ZINC000012231664
ZINC12231664
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