Vitas-M small molecule compound

2-[(4-methoxy-3-nitrobenzyl)sulfanyl]pyridine

Catalog ID
STK735246
SMILES COc1ccc(cc1[N+](=O)[O-])CSc1ccccn1

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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 C13H12N2O3S MW 276.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N2O3S/c1-18-12-6-5-10(8-11(12)15(16)17)9-19-13-4-2-3-7-14-13/h2-8H,9H2,1H3
InChIKey
ONPLSEUXJNRPBM-UHFFFAOYSA-N
Synonyms
311317-58-5
1METHOXY2NITRO4(2PYRIDYLTHIOMETHYL)BENZENE
2((4methoxy3nitrobenzyl)sulfanyl)pyridine
2((4methoxy3nitrobenzyl)thio)pyridine
2((4METHOXY3NITROPHENYL)METHYLSULFANYL)PYRIDINE
2(4METHOXY3NITROBENZYLSULFANYL)PYRIDINE
311317585
COC1=C(C=C(C=C1)CSC2=CC=CC=N2)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))CSc1ccccn1
InChI=1SC13H12N2O3Sc118126510(811(12)15(16)17)9191342371413h28H9H21H3
MFCD00754606
ZINC000000062741
ZINC00062741
ZINC62741

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Available files

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