Vitas-M small molecule compound
(5E)-1-butyl-2,6-dioxo-5-[(1-propyl-1,2,3,4-tetrahydroquinolinium-6-yl)methylidene]-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STK568821
SMILES CCCCN1C(=O)N=C(/C(=C\c2ccc3c(c2)CCC[NH+]3CCC)/C1=O)[O-]
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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 C21H27N3O3 MW 369.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3/c1-3-5-12-24-20(26)17(19(25)22-21(24)27)14-15-8-9-18-16(13-15)7-6-11-23(18)10-4-2/h8-9,13-14H,3-7,10-12H2,1-2H3,(H,22,25,27)/b17-14+InChIKey
HTAYAQZUFYDTRB-SAPNQHFASA-NSynonyms
845634-90-4(5E)1butyl26dioxo5((1propyl1234tetrahydroquinolinium6yl)methylidene)1256tetrahydropyrimidin4olate
(5E)1butyl46dioxo5((1propyl1234tetrahydroquinolin1ium6yl)methylidene)pyrimidin2olate
(5E)1BUTYL5((1PROPYL34DIHYDRO2HQUINOLIN6YL)METHYLIDENE)13DIAZINANE246TRIONE
845634904
CCCCN1C(=O)C(=CC2=CC3=C(C=C2)(NH+)(CCC3)CCC)C(=O)N=C1(O)
CCCCN1C(=O)N=C(C(=Cc2ccc3c(c2)CCC(NH+)3CCC)C1=O)(O)
InChI=1SC21H27N3O3c135122420(26)17(19(25)2221(24)27)1415891816(1315)761123(18)1042h891314H371012H212H3(H222527)b1714+
MFCD18245255
ZINC000002413839
ZINC02413839
ZINC2413839
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