Vitas-M small molecule compound

4-{2-[(1,2-dihydroacenaphthylen-5-ylmethyl)sulfanyl]ethyl}pyridine

Catalog ID
STL308445
SMILES n1ccc(cc1)CCSCc1ccc2c3c1cccc3CC2

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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 C20H19NS MW 305.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19NS/c1-2-16-4-5-17-6-7-18(19(3-1)20(16)17)14-22-13-10-15-8-11-21-12-9-15/h1-3,6-9,11-12H,4-5,10,13-14H2
InChIKey
PGPWKGRBCMIMBM-UHFFFAOYSA-N
Synonyms
372174-93-1
372174931
4(2(((12dihydroacenaphthylen5yl)methyl)thio)ethyl)pyridine
4(2((12dihydroacenaphthylen5ylmethyl)sulfanyl)ethyl)pyridine
4(2(12DIHYDROACENAPHTHYLEN5YLMETHYLSULFANYL)ETHYL)PYRIDINE
C1CC2=CC=CC3=C(C=CC1=C23)CSCCC4=CC=NC=C4
InChI=1SC20H19NSc121645176718(19(31)20(16)17)14221310158112112915h13691112H45101314H2
MFCD00409057
ZINC000002275256
ZINC02275256
ZINC2275256

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Available files

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