Vitas-M small molecule compound
2-chloro-6-fluorobenzyl 1,2-dimethyl-4-nitro-1H-imidazole-5-carboxylate
Catalog ID
STK775342
SMILES Fc1cccc(c1COC(=O)c1n(C)c(nc1[N+](=O)[O-])C)Cl
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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 C13H11ClFN3O4 MW 327.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11ClFN3O4/c1-7-16-12(18(20)21)11(17(7)2)13(19)22-6-8-9(14)4-3-5-10(8)15/h3-5H,6H2,1-2H3InChIKey
NIQWESPFUMPNQO-UHFFFAOYSA-NSynonyms
(2CHLORO6FLUOROPHENYL)METHYL23DIMETHYL5NITROIMIDAZOLE4CARBOXYLATE
2chloro6fluorobenzyl12dimethyl4nitro1Himidazole5carboxylate
CC1=NC(=C(N1C)C(=O)OCC2=C(C=CC=C2Cl)F)(N+)(=O)(O)
Fc1cccc(c1COC(=O)c1n(C)c(nc1(N+)(=O)(O))C)Cl
InChI=1SC13H11ClFN3O4c171612(18(20)21)11(17(7)2)13(19)22689(14)43510(8)15h35H6H212H3
MFCD05257160
ZINC000001422089
ZINC01422089
ZINC1422089
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