Vitas-M small molecule compound

4-(1H-benzotriazol-1-yl)-3-nitrobenzonitrile

Catalog ID
STK760271
SMILES N#Cc1ccc(c(c1)[N+](=O)[O-])n1nnc2c1cccc2

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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 C13H7N5O2 MW 265.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H7N5O2/c14-8-9-5-6-12(13(7-9)18(19)20)17-11-4-2-1-3-10(11)15-16-17/h1-7H
InChIKey
NZGBXXYFVZKALT-UHFFFAOYSA-N
Synonyms
312529-99-0
312529990
4(1Hbenzotriazol1yl)3nitrobenzonitrile
4(BENZOTRIAZOL1YL)3NITROBENZONITRILE
4BENZOTRIAZOLYL3NITROBENZENECARBONITRILE
C1=CC=C2C(=C1)N=NN2C3=C(C=C(C=C3)C#N)(N+)(=O)(O)
InChI=1SC13H7N5O2c14895612(13(79)18(19)20)1711421310(11)151617h17H
MFCD01435612
N#Cc1ccc(c(c1)(N+)(=O)(O))n1nnc2c1cccc2
ZINC000000078668
ZINC00078668
ZINC78668

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Available files

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