Vitas-M small molecule compound
(1Z)-2-(isoquinolinium-2-yl)-1-(methylamino)-3-oxobut-1-ene-1-thiolate
Catalog ID
STK202802
SMILES CN/C(=C(/[n+]1ccc2c(c1)cccc2)\C(=O)C)/[S-]
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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 C14H14N2OS MW 258.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N2OS/c1-10(17)13(14(18)15-2)16-8-7-11-5-3-4-6-12(11)9-16/h3-9H,1-2H3,(H-,15,17,18)InChIKey
CETCIPLYLBZOOT-UHFFFAOYSA-NSynonyms
(1Z)2(isoquinolinium2yl)1(methylamino)3oxobut1ene1thiolate
(E)3isoquinolin2ium2yl4(methylamino)4sulfanylidenebut2en2olate
CC(=C(C(=S)NC)(N+)1=CC2=CC=CC=C2C=C1)(O)
CNC(=C((n+)1ccc2c(c1)cccc2)C(=O)C)(S)
InChI=1SC14H14N2OSc110(17)13(14(18)152)168711534612(11)916h39H12H3(H151718)
MFCD09960187
ZINC000019890696
Check stock
See real-time availability and sample size for STK202802 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.