Vitas-M small molecule compound
4-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}benzonitrile
Catalog ID
STK228698
SMILES N#Cc1ccc(cc1)Oc1nc2c(n1Cc1cccc(c1)Cl)c(=O)n(c(=O)n2C)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 C21H16ClN5O3 MW 421.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN5O3/c1-25-18-17(19(28)26(2)21(25)29)27(12-14-4-3-5-15(22)10-14)20(24-18)30-16-8-6-13(11-23)7-9-16/h3-10H,12H2,1-2H3InChIKey
GRNNEQIUTNXGPL-UHFFFAOYSA-NSynonyms
4((7(3chlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)oxy)benzonitrile
4(7((3CHLOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)OXYBENZONITRILE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)C#N)CC4=CC(=CC=C4)Cl
InChI=1SC21H16ClN5O3c1251817(19(28)26(2)21(25)29)27(121443515(22)1014)20(2418)30168613(1123)7916h310H12H212H3
MFCD06124833
ZINC000009974904
ZINC09974904
ZINC9974904
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