Vitas-M small molecule compound
4-[(8-chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzonitrile
Catalog ID
STK720231
SMILES N#Cc1ccc(cc1)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C
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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 C15H12ClN5O2 MW 329.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12ClN5O2/c1-19-12-11(13(22)20(2)15(19)23)21(14(16)18-12)8-10-5-3-9(7-17)4-6-10/h3-6H,8H2,1-2H3InChIKey
VZSSXMLXFLYGEB-UHFFFAOYSA-NSynonyms
4((8chloro13dimethyl26dioxo1236tetrahydro7Hpurin7yl)methyl)benzonitrile
4((8CHLORO13DIMETHYL26DIOXO137TRIHYDROPURIN7YL)METHYL)BENZENECARBONITRILE
4((8CHLORO13DIMETHYL26DIOXOPURIN7YL)METHYL)BENZONITRILE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC=C(C=C3)C#N
InChI=1SC15H12ClN5O2c1191211(13(22)20(2)15(19)23)21(14(16)1812)810539(717)4610h36H8H212H3
MFCD03235405
ZINC000000794840
ZINC00794840
ZINC794840
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