Vitas-M small molecule compound
8-chloro-1,3-dimethyl-7-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK744203
SMILES [O-][N+](=O)c1cnc(n1CCn1c(Cl)nc2c1c(=O)n(C)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 C13H14ClN7O4 MW 367.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14ClN7O4/c1-7-15-6-8(21(24)25)19(7)4-5-20-9-10(16-12(20)14)17(2)13(23)18(3)11(9)22/h6H,4-5H2,1-3H3InChIKey
OYIRPJHXYDTSPI-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cnc(n1CCn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C)C
8chloro13dimethyl7(2(2methyl5nitro1Himidazol1yl)ethyl)37dihydro1Hpurine26dione
8CHLORO13DIMETHYL7(2(2METHYL5NITROIMIDAZOL1YL)ETHYL)PURINE26DIONE
CC1=NC=C(N1CCN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)(N+)(=O)(O)
InChI=1SC13H14ClN7O4c171568(21(24)25)19(7)4520910(1612(20)14)17(2)13(23)18(3)11(9)22h6H45H213H3
MFCD07800597
ZINC000010337324
ZINC10337324
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