Vitas-M small molecule compound
8-(3,5-dimethyl-1H-pyrazol-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK017642
SMILES OC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)n1nc(cc1C)C)COc1ccccc1
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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 C20H22N6O4 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N6O4/c1-12-9-13(2)26(23-12)19-21-17-16(18(28)22-20(29)24(17)3)25(19)10-14(27)11-30-15-7-5-4-6-8-15/h4-9,14,27H,10-11H2,1-3H3,(H,22,28,29)InChIKey
VWKXRADRCYQFAQ-UHFFFAOYSA-NSynonyms
304871-37-2304871372
8(35dimethyl1Hpyrazol1yl)7(2hydroxy3phenoxypropyl)3methyl1Hpurine26(3H7H)dione
8(35DIMETHYL1HPYRAZOL1YL)7(2HYDROXY3PHENOXYPROPYL)3METHYL37DIHYDRO1HPURINE26DIONE
8(35DIMETHYLPYRAZOL1YL)7(2HYDROXY3PHENOXYPROPYL)3METHYL37DIHYDROPURINE26DIONE
8(35DIMETHYLPYRAZOL1YL)7(2HYDROXY3PHENOXYPROPYL)3METHYLPURINE26DIONE
8(35DIMETHYLPYRAZOLYL)7(2HYDROXY3PHENOXYPROPYL)3METHYL137TRIHYDROPURINE26DIONE
CC1=CC(=NN1C2=NC3=C(N2CC(COC4=CC=CC=C4)O)C(=O)NC(=O)N3C)C
InChI=1SC20H22N6O4c112913(2)26(2312)19211716(18(28)2220(29)24(17)3)25(19)1014(27)1130157546815h491427H1011H213H3(H222829)
MFCD01032141
OC(Cn1c(nc2c1c(=O)(nH)c(=O)n2C)n1nc(cc1C)C)COc1ccccc1
STK017642
ZINC000000626380
ZINC000000842269
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.