Vitas-M small molecule compound
7-(3-chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL160747
SMILES COCCn1c(=O)n(C)c2c(c1=O)n(Cc1cccc(c1)Cl)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 C21H23ClN6O3 MW 442.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN6O3/c1-13-10-14(2)28(24-13)20-23-18-17(27(20)12-15-6-5-7-16(22)11-15)19(29)26(8-9-31-4)21(30)25(18)3/h5-7,10-11H,8-9,12H2,1-4H3InChIKey
NRKJDABLDPAGTR-UHFFFAOYSA-NSynonyms
1013969-28-21013969282
7((3chlorophenyl)methyl)8(35dimethylpyrazol1yl)1(2methoxyethyl)3methylpurine26dione
7(3CHLOROBENZYL)8(35DIMETHYL1HPYRAZOL1YL)1(2METHOXYETHYL)3METHYL1HPURINE26(3H7H)DIONE
7(3chlorobenzyl)8(35dimethyl1Hpyrazol1yl)1(2methoxyethyl)3methyl37dihydro1Hpurine26dione
CC1=CC(=NN1C2=NC3=C(N2CC4=CC(=CC=C4)Cl)C(=O)N(C(=O)N3C)CCOC)C
InChI=1SC21H23ClN6O3c1131014(2)28(2413)20231817(27(20)121565716(22)1115)19(29)26(89314)21(30)25(18)3h571011H8912H214H3
MFCD09978151
ZINC000012231789
ZINC12231789
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