Vitas-M small molecule compound

(5E)-1-benzyl-5-{1-[(1-benzylpiperidinium-4-yl)amino]propylidene}-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate

Catalog ID
STK570681
SMILES CC/C(=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)[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 C26H30N4O3 MW 446.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O3/c1-2-22(27-21-13-15-29(16-14-21)17-19-9-5-3-6-10-19)23-24(31)28-26(33)30(25(23)32)18-20-11-7-4-8-12-20/h3-12,21,27H,2,13-18H2,1H3,(H,28,31,33)/b23-22+
InChIKey
MIHUWAUVEYUEQO-GHVJWSGMSA-N
Synonyms

(5E)1BENZYL5(1((1BENZYLPIPERIDIN4YL)AMINO)PROPYLIDENE)13DIAZINANE246TRIONE
(5E)1benzyl5(1((1benzylpiperidinium4yl)amino)propylidene)26dioxo1256tetrahydropyrimidin4olate
CCC(=C1C(=NC(=O)N(C1=O)Cc1ccccc1)(O))NC1CC(NH+)(CC1)Cc1ccccc1
CCC(=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)NC3CCN(CC3)CC4=CC=CC=C4
InChI=1SC26H30N4O3c1222(2721131529(161421)171995361019)2324(31)2826(33)30(25(23)32)1820117481220h3122127H21318H21H3(H283133)b2322+
MFCD18245376
ZINC000020329357
ZINC20329357

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Available files

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