Vitas-M small molecule compound

N-(3-cyanothiophen-2-yl)-3-nitrobenzamide

Catalog ID
STK464171
SMILES N#Cc1ccsc1NC(=O)c1cccc(c1)[N+](=O)[O-]

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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 C12H7N3O3S MW 273.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H7N3O3S/c13-7-9-4-5-19-12(9)14-11(16)8-2-1-3-10(6-8)15(17)18/h1-6H,(H,14,16)
InChIKey
PETLUEQEPHLPHR-UHFFFAOYSA-N
Synonyms

C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)NC2=C(C=CS2)C#N
InChI=1SC12H7N3O3Sc1379451912(9)1411(16)821310(68)15(17)18h16H(H1416)
MFCD01007022
N#Cc1ccsc1NC(=O)c1cccc(c1)(N+)(=O)(O)
N(3CYANO(2THIENYL))(3NITROPHENYL)CARBOXAMIDE
N(3CYANO2THIENYL)3NITROBENZAMIDE
N(3CYANO2THIOPHENYL)3NITROBENZAMIDE
N(3cyanothiophen2yl)3nitrobenzamide
ZINC000001053353
ZINC01053353
ZINC1053353

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Available files

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