Vitas-M small molecule compound

1-[(4-isothiocyanatophenyl)sulfonyl]-2-methylpiperidine

Catalog ID
STK502602
SMILES S=C=Nc1ccc(cc1)S(=O)(=O)N1CCCCC1C

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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 C13H16N2O2S2 MW 296.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O2S2/c1-11-4-2-3-9-15(11)19(16,17)13-7-5-12(6-8-13)14-10-18/h5-8,11H,2-4,9H2,1H3
InChIKey
VITUFBHUBOQDCY-UHFFFAOYSA-N
Synonyms
860440-91-1
1((4isothiocyanatophenyl)sulfonyl)2methylpiperidine
1(4ISOTHIOCYANATOBENZENESULFONYL)2METHYLPIPERIDINE
1(4isothiocyanatophenyl)sulfonyl2methylpiperidine
860440911
CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)N=C=S
InChI=1SC13H16N2O2S2c111423915(11)19(1617)137512(6813)141018h5811H249H21H3
MFCD09971949
ZINC000019737300
ZINC000019737301

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Available files

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