Vitas-M small molecule compound

5-[(E)-(2-carbamothioylhydrazinylidene)methyl]-4-(4-methylpyridinium-1-yl)-2-oxo-1,3-thiazol-3-ide

Catalog ID
STK538027
SMILES NC(=S)N/N=C/c1sc(=O)[n-]c1[n+]1ccc(cc1)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 C11H11N5OS2 MW 293.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11N5OS2/c1-7-2-4-16(5-3-7)9-8(19-11(17)14-9)6-13-15-10(12)18/h2-6H,1H3,(H3-,12,13,14,15,17,18)
InChIKey
OKRKOQCAVLTVJS-UHFFFAOYSA-N
Synonyms
324060-86-8
(E)5((2carbamothioylhydrazono)methyl)4(4methylpyridin1ium1yl)2oxothiazol3ide
324060868
5((CARBAMOTHIOYLHYDRAZINYLIDENE)METHYL)4(4METHYLPYRIDIN1IUM1YL)13THIAZOL2OLATE
5((E)(2carbamothioylhydrazinylidene)methyl)4(4methylpyridinium1yl)2oxo13thiazol3ide
5((E)(CARBAMOTHIOYLHYDRAZINYLIDENE)METHYL)4(4METHYLPYRIDIN1IUM1YL)13THIAZOL2OLATE
5((Z)(CARBAMOTHIOYLHYDRAZINYLIDENE)METHYL)4(4METHYLPYRIDIN1IUM1YL)13THIAZOL2OLATE
CC1=CC=(N+)(C=C1)C2=C(SC(=N2)(O))C=NNC(=S)N
InChI=1SC11H11N5OS2c172416(537)98(1911(17)149)6131510(12)18h26H1H3(H3121314151718)
MFCD00806418
NC(=S)NN=Cc1sc(=O)(n)c1(n+)1ccc(cc1)C
ZINC000013739416

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Available files

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