Vitas-M small molecule compound
2-[8-(3,5-dimethyl-1H-pyrazol-1-yl)-7-(2-fluorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetamide
Catalog ID
STL156267
SMILES NC(=O)Cn1c(=O)n(C)c2c(c1=O)n(Cc1ccccc1F)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 C20H20FN7O3 MW 425.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FN7O3/c1-11-8-12(2)28(24-11)19-23-17-16(26(19)9-13-6-4-5-7-14(13)21)18(30)27(10-15(22)29)20(31)25(17)3/h4-8H,9-10H2,1-3H3,(H2,22,29)InChIKey
RYWHHAMANBSSIV-UHFFFAOYSA-NSynonyms
1013970-25-61013970256
2(8(35dimethyl1Hpyrazol1yl)7(2fluorobenzyl)3methyl26dioxo2367tetrahydro1Hpurin1yl)acetamide
2(8(35dimethylpyrazol1yl)7((2fluorophenyl)methyl)3methyl26dioxopurin1yl)acetamide
2(8(35DIMETHYLPYRAZOLYL)7((2FLUOROPHENYL)METHYL)3METHYL26DIOXO137TRIHYDROPURINYL)ACETAMIDE
CC1=CC(=NN1C2=NC3=C(N2CC4=CC=CC=C4F)C(=O)N(C(=O)N3C)CC(=O)N)C
InChI=1SC20H20FN7O3c111812(2)28(2411)19231716(26(19)913645714(13)21)18(30)27(1015(22)29)20(31)25(17)3h48H910H213H3(H22229)
MFCD09978138
ZINC000012231751
ZINC12231751
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