Vitas-M small molecule compound
2-[7-(2-fluorobenzyl)-3-methyl-2,6-dioxo-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-2,3,6,7-tetrahydro-1H-purin-1-yl]acetamide
Catalog ID
STK929567
SMILES NC(=O)Cn1c(=O)c2n(Cc3ccccc3F)c(nc2n(c1=O)C)n1nc(c(c1C)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 C21H22FN7O3 MW 439.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN7O3/c1-11-12(2)25-29(13(11)3)20-24-18-17(27(20)9-14-7-5-6-8-15(14)22)19(31)28(10-16(23)30)21(32)26(18)4/h5-8H,9-10H2,1-4H3,(H2,23,30)InChIKey
YMHGJRRYCCBNSZ-UHFFFAOYSA-NSynonyms
1014053-06-51014053065
2(7((2fluorophenyl)methyl)3methyl26dioxo8(345trimethylpyrazol1yl)purin1yl)acetamide
2(7(2fluorobenzyl)3methyl26dioxo8(345trimethyl1Hpyrazol1yl)2367tetrahydro1Hpurin1yl)acetamide
CC1=C(N(N=C1C)C2=NC3=C(N2CC4=CC=CC=C4F)C(=O)N(C(=O)N3C)CC(=O)N)C
InChI=1SC21H22FN7O3c11112(2)2529(13(11)3)20241817(27(20)914756815(14)22)19(31)28(1016(23)30)21(32)26(18)4h58H910H214H3(H22330)
MFCD09978256
ZINC000012232067
ZINC12232067
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