Vitas-M small molecule compound
8-chloro-1,3-dimethyl-7-[2-(4-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK763716
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])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 C15H12ClN5O5 MW 377.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12ClN5O5/c1-18-12-11(13(23)19(2)15(18)24)20(14(16)17-12)7-10(22)8-3-5-9(6-4-8)21(25)26/h3-6H,7H2,1-2H3InChIKey
GFLCMUUHOLOZOK-UHFFFAOYSA-NSynonyms
8chloro13dimethyl7(2(4nitrophenyl)2oxoethyl)37dihydro1Hpurine26dione
8CHLORO13DIMETHYL7(2(4NITROPHENYL)2OXOETHYL)PURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC15H12ClN5O5c1181211(13(23)19(2)15(18)24)20(14(16)1712)710(22)8359(648)21(25)26h36H7H212H3
MFCD01995575
O=C(c1ccc(cc1)(N+)(=O)(O))Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C
ZINC000001067102
ZINC01067102
ZINC1067102
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