Vitas-M small molecule compound

(6-bromo-1,3-benzodioxol-5-yl)methyl 1,2-dimethyl-4-nitro-1H-imidazole-5-carboxylate

Catalog ID
STK780682
SMILES Brc1cc2OCOc2cc1COC(=O)c1c(nc(n1C)C)[N+](=O)[O-]

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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 C14H12BrN3O6 MW 398.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12BrN3O6/c1-7-16-13(18(20)21)12(17(7)2)14(19)22-5-8-3-10-11(4-9(8)15)24-6-23-10/h3-4H,5-6H2,1-2H3
InChIKey
JTLKEZFDMYIOQC-UHFFFAOYSA-N
Synonyms

(6bromo13benzodioxol5yl)methyl12dimethyl4nitro1Himidazole5carboxylate
(6BROMO13BENZODIOXOL5YL)METHYL23DIMETHYL5NITROIMIDAZOLE4CARBOXYLATE
Brc1cc2OCOc2cc1COC(=O)c1c(nc(n1C)C)(N+)(=O)(O)
CC1=NC(=C(N1C)C(=O)OCC2=CC3=C(C=C2Br)OCO3)(N+)(=O)(O)
InChI=1SC14H12BrN3O6c171613(18(20)21)12(17(7)2)14(19)225831011(49(8)15)2462310h34H56H212H3
MFCD06013499
ZINC000001431930
ZINC01431930
ZINC1431930

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.