Vitas-M small molecule compound

N-(2,1,3-benzoxadiazol-4-yl)-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide

Catalog ID
STK780766
SMILES O=C(Nc1cccc2c1non2)Cn1nc(c(c1C)Br)[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 C12H9BrN6O4 MW 381.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9BrN6O4/c1-6-10(13)12(19(21)22)15-18(6)5-9(20)14-7-3-2-4-8-11(7)17-23-16-8/h2-4H,5H2,1H3,(H,14,20)
InChIKey
LWYXJEHABKZQKE-UHFFFAOYSA-N
Synonyms

CC1=C(C(=NN1CC(=O)NC2=CC=CC3=NON=C32)(N+)(=O)(O))Br
InChI=1SC12H9BrN6O4c1610(13)12(19(21)22)1518(6)59(20)147324811(7)1723168h24H5H21H3(H1420)
MFCD06013613
N(213benzoxadiazol4yl)2(4bromo5methyl3nitro1Hpyrazol1yl)acetamide
N(213BENZOXADIAZOL4YL)2(4BROMO5METHYL3NITROPYRAZOL1YL)ACETAMIDE
N213BENZOXADIAZOL4YL2(4BROMO5METHYL3NITRO1HPYRAZOL1YL)ACETAMIDE
O=C(Nc1cccc2c1non2)Cn1nc(c(c1C)Br)(N+)(=O)(O)
ZINC000001432098
ZINC01432098
ZINC1432098

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Available files

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