Vitas-M small molecule compound
N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-oxo-2-phenylethanaminium
Catalog ID
STK870297
SMILES COCc1cc(C)nc(c1C#N)SCC[N+](CC(=O)c1ccccc1)(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 C21H26N3O2S MW 384.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N3O2S/c1-16-12-18(15-26-4)19(13-22)21(23-16)27-11-10-24(2,3)14-20(25)17-8-6-5-7-9-17/h5-9,12H,10-11,14-15H2,1-4H3/q+1InChIKey
JGLMJAXOLHVGCA-UHFFFAOYSA-NSynonyms
2(3CYANO4(METHOXYMETHYL)6METHYLPYRIDIN2YL)SULFANYLETHYLDIMETHYLPHENACYLAZANIUM
CC1=NC(=C(C(=C1)COC)C#N)SCC(N+)(C)(C)CC(=O)C2=CC=CC=C2
COCc1cc(C)nc(c1C#N)SCC(N+)(CC(=O)c1ccccc1)(C)C
InChI=1SC21H26N3O2Sc1161218(15264)19(1322)21(2316)27111024(23)1420(25)178657917h5912H10111415H214H3q+1
N(2((3cyano4(methoxymethyl)6methylpyridin2yl)sulfanyl)ethyl)NNdimethyl2oxo2phenylethanaminium
ZINC000038148205
ZINC38148205
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