Vitas-M small molecule compound

N-(4-bromophenyl)-5,7-dinitro-2,1,3-benzoxadiazol-4-amine

Catalog ID
STK368342
SMILES Brc1ccc(cc1)Nc1c(cc(c2c1non2)[N+](=O)[O-])[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 C12H6BrN5O5 MW 380.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H6BrN5O5/c13-6-1-3-7(4-2-6)14-10-8(17(19)20)5-9(18(21)22)11-12(10)16-23-15-11/h1-5,14H
InChIKey
RHWBMEGMPVXQJY-UHFFFAOYSA-N
Synonyms

(57DINITROBENZO(C)125OXADIAZOL4YL)(4BROMOPHENYL)AMINE
Brc1ccc(cc1)Nc1c(cc(c2c1non2)(N+)(=O)(O))(N+)(=O)(O)
C1=CC(=CC=C1NC2=C(C=C(C3=NON=C23)(N+)(=O)(O))(N+)(=O)(O))Br
InChI=1SC12H6BrN5O5c136137(426)14108(17(19)20)59(18(21)22)1112(10)16231511h1514H
MFCD00399484
N(4bromophenyl)57dinitro213benzoxadiazol4amine
ZINC000004016549
ZINC04016549
ZINC4016549

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Available files

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