Vitas-M small molecule compound

(5E)-5-{1-[(1-benzylpiperidinium-4-yl)amino]propylidene}-2-hydroxy-6-oxo-5,6-dihydropyrimidin-4-olate

Catalog ID
STL048375
SMILES CC/C(=C\1/C(=NC(=NC1=O)O)[O-])/NC1CC[NH+](CC1)Cc1ccccc1

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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 C19H24N4O3 MW 356.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24N4O3/c1-2-15(16-17(24)21-19(26)22-18(16)25)20-14-8-10-23(11-9-14)12-13-6-4-3-5-7-13/h3-7,14,20H,2,8-12H2,1H3,(H2,21,22,24,25,26)
InChIKey
WHIPQMLKEJGTSV-UHFFFAOYSA-N
Synonyms

(5E)5(1((1benzylpiperidinium4yl)amino)propylidene)2hydroxy6oxo56dihydropyrimidin4olate
(5Z)5(1((1BENZYLPIPERIDIN1IUM4YL)AMINO)PROPYLIDENE)46DIOXO1HPYRIMIDIN2OLATE
5(1((1BENZYLPIPERIDIN1IUM4YL)AMINO)PROPYLIDENE)46DIOXO1HPYRIMIDIN2OLATE
5(1((1BENZYLPIPERIDIN4YL)AMINO)PROPYLIDENE)13DIAZINANE246TRIONE
CCC(=C1C(=NC(=NC1=O)O)(O))NC1CC(NH+)(CC1)Cc1ccccc1
CCC(=C1C(=O)NC(=NC1=O)(O))NC2CC(NH+)(CC2)CC3=CC=CC=C3
InChI=1SC19H24N4O3c1215(1617(24)2119(26)2218(16)25)201481023(11914)12136435713h371420H2812H21H3(H22122242526)
MFCD18249191
ZINC000001272743
ZINC1272743

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Available files

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