Vitas-M small molecule compound

(5E)-2,6-dioxo-1-phenyl-5-(1-{[3-(piperidinium-1-yl)propyl]amino}propylidene)-1,2,5,6-tetrahydropyrimidin-4-olate

Catalog ID
STL054172
SMILES CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1)[O-])/NCCC[NH+]1CCCCC1

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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 C21H28N4O3 MW 384.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O3/c1-2-17(22-12-9-15-24-13-7-4-8-14-24)18-19(26)23-21(28)25(20(18)27)16-10-5-3-6-11-16/h3,5-6,10-11,22H,2,4,7-9,12-15H2,1H3,(H,23,26,28)/b18-17+
InChIKey
DSORMAIDPKTADA-ISLYRVAYSA-N
Synonyms

(5E)1PHENYL5(1(3PIPERIDIN1YLPROPYLAMINO)PROPYLIDENE)13DIAZINANE246TRIONE
(5E)26dioxo1phenyl5(1((3(piperidinium1yl)propyl)amino)propylidene)1256tetrahydropyrimidin4olate
(5E)46dioxo1phenyl5(1(3piperidin1ium1ylpropylamino)propylidene)pyrimidin2olate
CCC(=C1C(=NC(=O)N(C1=O)c1ccccc1)(O))NCCC(NH+)1CCCCC1
CCC(=C1C(=O)N=C(N(C1=O)C2=CC=CC=C2)(O))NCCC(NH+)3CCCCC3
InChI=1SC21H28N4O3c1217(221291524137481424)1819(26)2321(28)25(20(18)27)16105361116h356101122H24791215H21H3(H232628)b1817+
MFCD18249584
ZINC000020265949
ZINC20265949

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Available files

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