Vitas-M small molecule compound
(5E)-1-methyl-4,6-dioxo-5-({[4-(piperidinium-1-ylmethyl)phenyl]amino}methylidene)-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STK566967
SMILES CN1C(=NC(=O)/C(=C\Nc2ccc(cc2)C[NH+]2CCCCC2)/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 C18H22N4O2S MW 358.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O2S/c1-21-17(24)15(16(23)20-18(21)25)11-19-14-7-5-13(6-8-14)12-22-9-3-2-4-10-22/h5-8,11,19H,2-4,9-10,12H2,1H3,(H,20,23,25)/b15-11+InChIKey
FCGJNNWZDRXEIS-RVDMUPIBSA-NSynonyms
(5E)1methyl46dioxo5(((4(piperidinium1ylmethyl)phenyl)amino)methylidene)1456tetrahydropyrimidine2thiolate
(5E)1METHYL5((4(PIPERIDIN1YLMETHYL)ANILINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1methyl6oxo5((4(piperidin1ium1ylmethyl)anilino)methylidene)2sulfanylidenepyrimidin4olate
CN1C(=NC(=O)C(=CNc2ccc(cc2)C(NH+)2CCCCC2)C1=O)(S)
CN1C(=O)C(=CNC2=CC=C(C=C2)C(NH+)3CCCCC3)C(=NC1=S)(O)
InChI=1SC18H22N4O2Sc12117(24)15(16(23)2018(21)25)1119147513(6814)122293241022h581119H2491012H21H3(H202325)b1511+
MFCD18245121
ZINC000009244388
ZINC9244388
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