Vitas-M small molecule compound

(5Z)-5-[4-(diethylammonio)benzylidene]-1-{4-[ethyl(2-hydroxyethyl)amino]phenyl}-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate

Catalog ID
STL051569
SMILES OCCN(c1ccc(cc1)N1C(=O)N=C(/C(=C/c2ccc(cc2)[NH+](CC)CC)/C1=O)[O-])CC

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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 C25H30N4O4 MW 450.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O4/c1-4-27(5-2)19-9-7-18(8-10-19)17-22-23(31)26-25(33)29(24(22)32)21-13-11-20(12-14-21)28(6-3)15-16-30/h7-14,17,30H,4-6,15-16H2,1-3H3,(H,26,31,33)/b22-17-
InChIKey
PPEGGFBYCXHYDI-XLNRJJMWSA-N
Synonyms
848064-60-8
(5Z)5((4(DIETHYLAMINO)PHENYL)METHYLIDENE)1(4(ETHYL(2HYDROXYETHYL)AMINO)PHENYL)13DIAZINANE246TRIONE
(5Z)5((4(DIETHYLAZANIUMYL)PHENYL)METHYLIDENE)1(4(ETHYL(2HYDROXYETHYL)AMINO)PHENYL)46DIOXOPYRIMIDIN2OLATE
(5Z)5(4(diethylammonio)benzylidene)1(4(ethyl(2hydroxyethyl)amino)phenyl)26dioxo1256tetrahydropyrimidin4olate
848064608
CCN(CC)C1=CC=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)N(CC)CCO
InChI=1SC25H30N4O4c1427(52)199718(81019)172223(31)2625(33)29(24(22)32)21131120(121421)28(63)151630h7141730H461516H213H3(H263133)b2217
MFCD18249410
OCCN(c1ccc(cc1)N1C(=O)N=C(C(=Cc2ccc(cc2)(NH+)(CC)CC)C1=O)(O))CC
ZINC000017250781
ZINC17250781

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Available files

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