Vitas-M small molecule compound
8-(3,5-dimethyl-1H-pyrazol-1-yl)-6-hydroxy-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STK589310
SMILES COc1ccc(cc1)CCn1c(nc2c1c(O)nc(=O)n2C)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 C20H22N6O3 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N6O3/c1-12-11-13(2)26(23-12)19-21-17-16(18(27)22-20(28)24(17)3)25(19)10-9-14-5-7-15(29-4)8-6-14/h5-8,11H,9-10H2,1-4H3,(H,22,27,28)InChIKey
BEMGPCYGDRYNQP-UHFFFAOYSA-NSynonyms
908228-25-18(35dimethyl1Hpyrazol1yl)6hydroxy7(2(4methoxyphenyl)ethyl)3methyl37dihydro2Hpurin2one
8(35DIMETHYLPYRAZOL1YL)7(2(4METHOXYPHENYL)ETHYL)3METHYLPURINE26DIONE
908228251
CC1=CC(=NN1C2=NC3=C(N2CCC4=CC=C(C=C4)OC)C(=O)NC(=O)N3C)C
InChI=1SC20H22N6O3c1121113(2)26(2312)19211716(18(27)2220(28)24(17)3)25(19)109145715(294)8614h5811H910H214H3(H222728)
MFCD07198701
ZINC000004038382
ZINC04038382
ZINC4038382
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