Vitas-M small molecule compound
(5E)-5-{1-[(1-benzylpiperidinium-4-yl)amino]propylidene}-1-(4-methoxyphenyl)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL048912
SMILES CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)OC)[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 C26H30N4O4 MW 462.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O4/c1-3-22(27-19-13-15-29(16-14-19)17-18-7-5-4-6-8-18)23-24(31)28-26(33)30(25(23)32)20-9-11-21(34-2)12-10-20/h4-12,19,27H,3,13-17H2,1-2H3,(H,28,31,33)/b23-22+InChIKey
SPRGEJUIIHZEQY-GHVJWSGMSA-NSynonyms
(5E)5(1((1BENZYLPIPERIDIN4YL)AMINO)PROPYLIDENE)1(4METHOXYPHENYL)13DIAZINANE246TRIONE
(5E)5(1((1benzylpiperidinium4yl)amino)propylidene)1(4methoxyphenyl)26dioxo1256tetrahydropyrimidin4olate
CCC(=C1C(=NC(=O)N(C1=O)c1ccc(cc1)OC)(O))NC1CC(NH+)(CC1)Cc1ccccc1
CCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)NC3CCN(CC3)CC4=CC=CC=C4
InChI=1SC26H30N4O4c1322(2719131529(161419)17187546818)2324(31)2826(33)30(25(23)32)2091121(342)121020h4121927H31317H212H3(H283133)b2322+
MFCD18249235
ZINC000020327803
ZINC20327803
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