Vitas-M small molecule compound

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

Catalog ID
STK528366
SMILES O=c1sc(c([n-]1)[n+]1ccc(cc1)C(=O)c1ccccc1)/C=N/NC(=O)c1cccnc1

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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 C22H15N5O3S MW 429.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15N5O3S/c28-19(15-5-2-1-3-6-15)16-8-11-27(12-9-16)20-18(31-22(30)25-20)14-24-26-21(29)17-7-4-10-23-13-17/h1-14,28H
InChIKey
KCAUQVXILGURPS-UHFFFAOYSA-N
Synonyms

(E)4(4benzoylpyridin1ium1yl)5((2nicotinoylhydrazono)methyl)2oxothiazol3ide
2oxo4(4(phenylcarbonyl)pyridinium1yl)5((E)(2(pyridin3ylcarbonyl)hydrazinylidene)methyl)13thiazol3ide
C1=CC=C(C=C1)C(=C2C=CN(C=C2)C3=NC(=O)SC3=CN=NC(=O)C4=CN=CC=C4)O
InChI=1SC22H15N5O3Sc2819(155213615)1681127(12916)2018(3122(30)2520)14242621(29)177410231317h11428H
MFCD01176661
N((4(4(HYDROXY(PHENYL)METHYLIDENE)PYRIDIN1YL)2OXO13THIAZOL5YLIDENE)METHYLIMINO)PYRIDINE3CARBOXAMIDE
O=c1sc(c((n)1)(n+)1ccc(cc1)C(=O)c1ccccc1)C=NNC(=O)c1cccnc1
ZINC000334157344
ZINC000334157345

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Available files

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