Vitas-M small molecule compound
(5E)-1-butyl-4,6-dioxo-5-({[3-(piperidinium-1-yl)propyl]amino}methylidene)-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL055153
SMILES CCCCN1C(=NC(=O)/C(=C\NCCC[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 C17H28N4O2S MW 352.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H28N4O2S/c1-2-3-12-21-16(23)14(15(22)19-17(21)24)13-18-8-7-11-20-9-5-4-6-10-20/h13,18H,2-12H2,1H3,(H,19,22,24)/b14-13+InChIKey
OBKFAZYCUYHKPH-BUHFOSPRSA-NSynonyms
(5E)1butyl46dioxo5(((3(piperidinium1yl)propyl)amino)methylidene)1456tetrahydropyrimidine2thiolate
(5E)1BUTYL5((3PIPERIDIN1YLPROPYLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1BUTYL6OXO5((3PIPERIDIN1IUM1YLPROPYLAMINO)METHYLIDENE)2SULFANYLIDENEPYRIMIDIN4OLATE
CCCCN1C(=NC(=O)C(=CNCCC(NH+)2CCCCC2)C1=O)(S)
CCCCN1C(=O)C(=CNCCC(NH+)2CCCCC2)C(=NC1=S)(O)
InChI=1SC17H28N4O2Sc123122116(23)14(15(22)1917(21)24)131887112095461020h1318H212H21H3(H192224)b1413+
MFCD18249657
ZINC000020332443
ZINC000103126017
ZINC20332443
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