Vitas-M small molecule compound

N~6~-(3-bromo-4-methylphenyl)-N~4~,N~4~-diethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine

Catalog ID
STK857727
SMILES CCN(c1cc(Nc2ccc(c(c2)Br)C)c(c2c1non2)[N+](=O)[O-])CC

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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 C17H18BrN5O3 MW 420.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18BrN5O3/c1-4-22(5-2)14-9-13(19-11-7-6-10(3)12(18)8-11)17(23(24)25)16-15(14)20-26-21-16/h6-9,19H,4-5H2,1-3H3
InChIKey
WBWAEGPQUMFWSK-UHFFFAOYSA-N
Synonyms

5N(3BROMO4METHYLPHENYL)7N7NDIETHYL4NITRO213BENZOXADIAZOLE57DIAMINE
CCN(c1cc(Nc2ccc(c(c2)Br)C)c(c2c1non2)(N+)(=O)(O))CC
CCN(CC)C1=CC(=C(C2=NON=C12)(N+)(=O)(O))NC3=CC(=C(C=C3)C)Br
InChI=1SC17H18BrN5O3c1422(52)14913(19117610(3)12(18)811)17(23(24)25)1615(14)20262116h6919H45H213H3
MFCD01960548
N~6~(3bromo4methylphenyl)N~4~N~4~diethyl7nitro213benzoxadiazole46diamine
N6(3BROMO4METHYLPHENYL)N4N4DIETHYL7NITRO213BENZOXADIAZOLE46DIAMINE
N6(3bromo4methylphenyl)N4N4diethyl7nitrobenzo(c)(125)oxadiazole46diamine
ZINC000009234243
ZINC09234243
ZINC9234243

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Available files

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