Vitas-M small molecule compound

2-oxo-5-{(E)-[2-(phenylcarbamothioyl)hydrazinylidene]methyl}-4-(pyridinium-1-yl)-1,3-thiazol-3-ide

Catalog ID
STL324610
SMILES S=C(Nc1ccccc1)N/N=C/c1sc(=O)[n-]c1[n+]1ccccc1

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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 C16H13N5OS2 MW 355.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N5OS2/c22-16-19-14(21-9-5-2-6-10-21)13(24-16)11-17-20-15(23)18-12-7-3-1-4-8-12/h1-11H,(H2-,17,18,19,20,22,23)
InChIKey
WMOKSXMMLSWEIA-UHFFFAOYSA-N
Synonyms
459791-37-8
(E)2oxo5((2(phenylcarbamothioyl)hydrazono)methyl)4(pyridin1ium1yl)thiazol3ide
2oxo5((E)(2(phenylcarbamothioyl)hydrazinylidene)methyl)4(pyridinium1yl)13thiazol3ide
459791378
5(((ANILINO(SULFANYLIDENE)METHYL)HYDRAZINYLIDENE)METHYL)4(1PYRIDIN1IUMYL)2THIAZOLOLATE
5((PHENYLCARBAMOTHIOYLHYDRAZINYLIDENE)METHYL)4PYRIDIN1IUM1YL13THIAZOL2OLATE
5((PHENYLTHIOCARBAMOYLHYDRAZONO)METHYL)4PYRIDIN1IUM1YLTHIAZOL2OLATE
5((Z)(PHENYLCARBAMOTHIOYLHYDRAZINYLIDENE)METHYL)4PYRIDIN1IUM1YL13THIAZOL2OLATE
C1=CC=C(C=C1)NC(=S)NN=CC2=C(N=C(S2)(O))(N+)3=CC=CC=C3
InChI=1SC16H13N5OS2c22161914(2195261021)13(2416)11172015(23)18127314812h111H(H2171819202223)
MFCD01088837
S=C(Nc1ccccc1)NN=Cc1sc(=O)(n)c1(n+)1ccccc1
ZINC000013142166

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Available files

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