Vitas-M small molecule compound
4-{[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}benzonitrile
Catalog ID
STK234891
SMILES N#Cc1ccc(cc1)Oc1nc2c(n1Cc1ccccc1Cl)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(12-14-5-3-4-6-16(14)22)20(24-18)30-15-9-7-13(11-23)8-10-15/h3-10H,12H2,1-2H3InChIKey
VHUIWJKQHMAFJU-UHFFFAOYSA-NSynonyms
4((7(2chlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)oxy)benzonitrile
4(7((2CHLOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)OXYBENZONITRILE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)C#N)CC4=CC=CC=C4Cl
InChI=1SC21H16ClN5O3c1251817(19(28)26(2)21(25)29)27(1214534616(14)22)20(2418)30159713(1123)81015h310H12H212H3
MFCD06124832
ZINC000009189876
ZINC09189876
ZINC9189876
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