Vitas-M small molecule compound
methyl [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]acetate
Catalog ID
STK934487
SMILES COC(=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 C21H21FN6O4 MW 440.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN6O4/c1-12-9-13(2)28(24-12)20-23-18-17(26(20)10-14-7-5-6-8-15(14)22)19(30)27(11-16(29)32-4)21(31)25(18)3/h5-9H,10-11H2,1-4H3InChIKey
CSEKUPKYIJJAOG-UHFFFAOYSA-NSynonyms
1019102-32-91019102329
CC1=CC(=NN1C2=NC3=C(N2CC4=CC=CC=C4F)C(=O)N(C(=O)N3C)CC(=O)OC)C
InChI=1SC21H21FN6O4c112913(2)28(2412)20231817(26(20)1014756815(14)22)19(30)27(1116(29)324)21(31)25(18)3h59H1011H214H3
methyl(8(35dimethyl1Hpyrazol1yl)7(2fluorobenzyl)3methyl26dioxo2367tetrahydro1Hpurin1yl)acetate
methyl2(8(35dimethyl1Hpyrazol1yl)7(2fluorobenzyl)3methyl26dioxo2367tetrahydro1Hpurin1yl)acetate
methyl2(8(35dimethylpyrazol1yl)7((2fluorophenyl)methyl)3methyl26dioxopurin1yl)acetate
MFCD09978137
ZINC000012231748
ZINC12231748
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