Vitas-M small molecule compound

4-nitro-N-(2-phenylethyl)-2,1,3-benzoxadiazol-5-amine

Catalog ID
STK833873
SMILES [O-][N+](=O)c1c(NCCc2ccccc2)ccc2c1non2

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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 C14H12N4O3 MW 284.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N4O3/c19-18(20)14-12(7-6-11-13(14)17-21-16-11)15-9-8-10-4-2-1-3-5-10/h1-7,15H,8-9H2
InChIKey
PUJHSVBGAYPRED-UHFFFAOYSA-N
Synonyms
372503-32-7
(O)(N+)(=O)c1c(NCCc2ccccc2)ccc2c1non2
372503327
4nitroN(2phenylethyl)213benzoxadiazol5amine
4NITRONPHENETHYL213BENZOXADIAZOL5AMINE
4nitroNphenethylbenzo(c)(125)oxadiazol5amine
C1=CC=C(C=C1)CCNC2=C(C3=NON=C3C=C2)(N+)(=O)(O)
InChI=1SC14H12N4O3c1918(20)1412(761113(14)17211611)1598104213510h1715H89H2
MFCD01857274
ZINC000004131810
ZINC04131810
ZINC4131810

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Available files

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