Vitas-M small molecule compound
N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-oxo-2-(phenylamino)ethanaminium
Catalog ID
STK870306
SMILES COCc1cc(C)nc(c1C#N)SCC[N+](CC(=O)Nc1ccccc1)(C)C
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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 C21H27N4O2S MW 399.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O2S/c1-16-12-17(15-27-4)19(13-22)21(23-16)28-11-10-25(2,3)14-20(26)24-18-8-6-5-7-9-18/h5-9,12H,10-11,14-15H2,1-4H3/p+1InChIKey
WLLFRYFNMHABRE-UHFFFAOYSA-OSynonyms
(2ANILINO2OXOETHYL)(2(3CYANO4(METHOXYMETHYL)6METHYLPYRIDIN2YL)SULFANYLETHYL)DIMETHYLAZANIUM
CC1=NC(=C(C(=C1)COC)C#N)SCC(N+)(C)(C)CC(=O)NC2=CC=CC=C2
COCc1cc(C)nc(c1C#N)SCC(N+)(CC(=O)Nc1ccccc1)(C)C
InChI=1SC21H26N4O2Sc1161217(15274)19(1322)21(2316)28111025(23)1420(26)24188657918h5912H10111415H214H3p+1
N(2((3cyano4(methoxymethyl)6methylpyridin2yl)sulfanyl)ethyl)NNdimethyl2oxo2(phenylamino)ethanaminium
ZINC000038148206
ZINC38148206
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