Vitas-M small molecule compound

1-cyano-2-(3-nitrophenyl)ethyl thiocyanate

Catalog ID
STK952016
SMILES N#CC(Cc1cccc(c1)[N+](=O)[O-])SC#N

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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 C10H7N3O2S MW 233.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H7N3O2S/c11-6-10(16-7-12)5-8-2-1-3-9(4-8)13(14)15/h1-4,10H,5H2
InChIKey
BZQNSPAPXZEASH-UHFFFAOYSA-N
Synonyms
5155-68-0
(1CYANO2(3NITROPHENYL)ETHYL)THIOCYANATE
1cyano2(3nitrophenyl)ethylthiocyanate
2CYANOTHIO3(3NITROPHENYL)PROPANENITRILE
3(3nitrophenyl)2thiocyanatopropanenitrile
5155680
C1=CC(=CC(=C1)(N+)(=O)(O))CC(C#N)SC#N
InChI=1SC10H7N3O2Sc11610(16712)582139(48)13(14)15h1410H5H2
MFCD00708969
N#CC(Cc1cccc(c1)(N+)(=O)(O))SC#N
ZINC000000063267
ZINC000000063269

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Available files

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