Vitas-M small molecule compound
2-[7-benzyl-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetamide
Catalog ID
STL161236
SMILES NC(=O)Cn1c(=O)n(C)c2c(c1=O)n(Cc1ccccc1)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 C20H21N7O3 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N7O3/c1-12-9-13(2)27(23-12)19-22-17-16(25(19)10-14-7-5-4-6-8-14)18(29)26(11-15(21)28)20(30)24(17)3/h4-9H,10-11H2,1-3H3,(H2,21,28)InChIKey
WYVZQKORZDDPIQ-UHFFFAOYSA-NSynonyms
1020454-55-01020454550
2(7benzyl8(35dimethyl1Hpyrazol1yl)3methyl26dioxo2367tetrahydro1Hpurin1yl)acetamide
2(7benzyl8(35dimethylpyrazol1yl)3methyl26dioxopurin1yl)acetamide
CC1=CC(=NN1C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(=O)N)C
InChI=1SC20H21N7O3c112913(2)27(2312)19221716(25(19)10147546814)18(29)26(1115(21)28)20(30)24(17)3h49H1011H213H3(H22128)
MFCD09978111
ZINC000012231678
ZINC12231678
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