Vitas-M small molecule compound

N-[3-(methylsulfanyl)phenyl]-4-nitrobenzamide

Catalog ID
STL118344
SMILES CSc1cccc(c1)NC(=O)c1ccc(cc1)[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 C14H12N2O3S MW 288.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N2O3S/c1-20-13-4-2-3-11(9-13)15-14(17)10-5-7-12(8-6-10)16(18)19/h2-9H,1H3,(H,15,17)
InChIKey
SDTCNLPDXMHECT-UHFFFAOYSA-N
Synonyms
169945-48-6
169945486
CSC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)(N+)(=O)(O)
CSc1cccc(c1)NC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC14H12N2O3Sc1201342311(913)1514(17)105712(8610)16(18)19h29H1H3(H1517)
MFCD03568774
N(3(methylsulfanyl)phenyl)4nitrobenzamide
N(3METHYLSULFANYLPHENYL)4NITROBENZAMIDE
ZINC000000441204
ZINC00441204
ZINC441204

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Available files

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