Vitas-M small molecule compound

1-methyl-1H-benzotriazole-5,6-dicarbonitrile

Catalog ID
STK688114
SMILES N#Cc1cc2c(cc1C#N)nnn2C

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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 C9H5N5 MW 183.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H5N5/c1-14-9-3-7(5-11)6(4-10)2-8(9)12-13-14/h2-3H,1H3
InChIKey
XHOUXNCHEMZSQG-UHFFFAOYSA-N
Synonyms

1methyl1Hbenzotriazole56dicarbonitrile
1METHYLBENZOTRIAZOLE56DICARBONITRILE
CN1C2=C(C=C(C(=C2)C#N)C#N)N=N1
InChI=1SC9H5N5c114937(511)6(410)28(9)121314h23H1H3
MFCD07022977
ZINC000004771003
ZINC04771003
ZINC4771003

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Available files

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