Vitas-M small molecule compound

(5E)-1-ethyl-4,6-dioxo-5-{[(pyridinium-2-ylmethyl)amino]methylidene}-1,4,5,6-tetrahydropyrimidine-2-thiolate

Catalog ID
STK568047
SMILES CCN1C(=NC(=O)/C(=C\NCc2cccc[nH+]2)/C1=O)[S-]

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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 C13H14N4O2S MW 290.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O2S/c1-2-17-12(19)10(11(18)16-13(17)20)8-14-7-9-5-3-4-6-15-9/h3-6,8,14H,2,7H2,1H3,(H,16,18,20)/b10-8+
InChIKey
CVGHQLZWABUUMX-CSKARUKUSA-N
Synonyms

(5E)1ethyl46dioxo5(((pyridinium2ylmethyl)amino)methylidene)1456tetrahydropyrimidine2thiolate
(5E)1ETHYL5((PYRIDIN2YLMETHYLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1ethyl6oxo5((pyridin1ium2ylmethylamino)methylidene)2sulfanylidenepyrimidin4olate
CCN1C(=NC(=O)C(=CNCc2cccc(nH+)2)C1=O)(S)
CCN1C(=O)C(=CNCC2=CC=CC=(NH+)2)C(=NC1=S)(O)
InChI=1SC13H14N4O2Sc121712(19)10(11(18)1613(17)20)814795346159h36814H27H21H3(H161820)b108+
MFCD18245199
ZINC000005625543
ZINC05625543
ZINC5625543

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Available files

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