Vitas-M small molecule compound
2-[8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-1-yl]acetamide
Catalog ID
STK933293
SMILES NC(=O)Cn1c(=O)n(C)c2c(c1=O)n(CCc1ccccc1)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 C21H23N7O3 MW 421.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N7O3/c1-13-11-14(2)28(24-13)20-23-18-17(26(20)10-9-15-7-5-4-6-8-15)19(30)27(12-16(22)29)21(31)25(18)3/h4-8,11H,9-10,12H2,1-3H3,(H2,22,29)InChIKey
HFCNCEJVOCLLPY-UHFFFAOYSA-NSynonyms
1014029-15-21014029152
2(8(35dimethyl1Hpyrazol1yl)3methyl26dioxo7(2phenylethyl)2367tetrahydro1Hpurin1yl)acetamide
2(8(35dimethyl1Hpyrazol1yl)3methyl26dioxo7phenethyl2367tetrahydro1Hpurin1yl)acetamide
2(8(35dimethylpyrazol1yl)3methyl26dioxo7(2phenylethyl)purin1yl)acetamide
CC1=CC(=NN1C2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(=O)N)C
InChI=1SC21H23N7O3c1131114(2)28(2413)20231817(26(20)109157546815)19(30)27(1216(22)29)21(31)25(18)3h4811H91012H213H3(H22229)
MFCD09978166
ZINC000012231832
ZINC12231832
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