Vitas-M small molecule compound

N-benzyl-2-(ethylsulfanyl)-4-nitrobenzamide

Catalog ID
STK767923
SMILES CCSc1cc(ccc1C(=O)NCc1ccccc1)[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 C16H16N2O3S MW 316.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O3S/c1-2-22-15-10-13(18(20)21)8-9-14(15)16(19)17-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,17,19)
InChIKey
KKPUKKVYPDPZRO-UHFFFAOYSA-N
Synonyms

(2ETHYLTHIO4NITROPHENYL)NBENZYLCARBOXAMIDE
CCSC1=C(C=CC(=C1)(N+)(=O)(O))C(=O)NCC2=CC=CC=C2
CCSc1cc(ccc1C(=O)NCc1ccccc1)(N+)(=O)(O)
InChI=1SC16H16N2O3Sc1222151013(18(20)21)8914(15)16(19)1711126435712h310H211H21H3(H1719)
MFCD03307817
Nbenzyl2(ethylsulfanyl)4nitrobenzamide
NBENZYL2ETHYLSULFANYL4NITROBENZAMIDE
ZINC000000092795
ZINC00092795
ZINC92795

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Available files

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