Vitas-M small molecule compound
2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
Catalog ID
STK208758
SMILES O=C(c1ccc2c(c1)OCCO2)Cn1nc(nc1Br)[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 C12H9BrN4O5 MW 369.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9BrN4O5/c13-11-14-12(17(19)20)15-16(11)6-8(18)7-1-2-9-10(5-7)22-4-3-21-9/h1-2,5H,3-4,6H2InChIKey
UVHLPKUCKQBBNX-UHFFFAOYSA-NSynonyms
2(5BROMO3NITRO124TRIAZOL1YL)1(23DIHYDRO14BENZODIOXIN6YL)ETHANONE
2(5BROMO3NITRO1H124TRIAZOL1YL)1(23DIHYDRO14BENZODIOXIN6YL)ETHANONE
C1COC2=C(O1)C=CC(=C2)C(=O)CN3C(=NC(=N3)(N+)(=O)(O))Br
InChI=1SC12H9BrN4O5c13111412(17(19)20)1516(11)68(18)712910(57)2243219h125H346H2
MFCD06193794
O=C(c1ccc2c(c1)OCCO2)Cn1nc(nc1Br)(N+)(=O)(O)
ZINC000004668960
ZINC04668960
ZINC4668960
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