Vitas-M small molecule compound

4-methyl-2-[(4-methylbenzyl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile

Catalog ID
STK959448
SMILES N#Cc1c(SCc2ccc(cc2)C)nc(cc1C)C(F)(F)F

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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 C16H13F3N2S MW 322.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13F3N2S/c1-10-3-5-12(6-4-10)9-22-15-13(8-20)11(2)7-14(21-15)16(17,18)19/h3-7H,9H2,1-2H3
InChIKey
CYKPERKKWWKGPN-UHFFFAOYSA-N
Synonyms
438537-89-4
438537894
4methyl2((4methylbenzyl)sulfanyl)6(trifluoromethyl)pyridine3carbonitrile
4METHYL2((4METHYLPHENYL)METHYLSULFANYL)6(TRIFLUOROMETHYL)PYRIDINE3CARBONITRILE
CC1=CC=C(C=C1)CSC2=C(C(=CC(=N2)C(F)(F)F)C)C#N
InChI=1SC16H13F3N2Sc1103512(6410)9221513(820)11(2)714(2115)16(1718)19h37H9H212H3
MFCD02175025
ZINC000013001684
ZINC13001684

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Available files

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