Vitas-M small molecule compound
(5E)-1-(4-methylphenyl)-2,6-dioxo-5-(1-{[2-(piperidinium-1-yl)ethyl]amino}propylidene)-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL049672
SMILES CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)[O-])/NCC[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/c1-3-17(22-11-14-24-12-5-4-6-13-24)18-19(26)23-21(28)25(20(18)27)16-9-7-15(2)8-10-16/h7-10,22H,3-6,11-14H2,1-2H3,(H,23,26,28)/b18-17+InChIKey
SECNXXHSJOLKDN-ISLYRVAYSA-NSynonyms
(5E)1(4methylphenyl)26dioxo5(1((2(piperidinium1yl)ethyl)amino)propylidene)1256tetrahydropyrimidin4olate
(5E)1(4methylphenyl)46dioxo5(1(2piperidin1ium1ylethylamino)propylidene)pyrimidin2olate
(5E)1(4METHYLPHENYL)5(1(2PIPERIDIN1YLETHYLAMINO)PROPYLIDENE)13DIAZINANE246TRIONE
CCC(=C1C(=NC(=O)N(C1=O)c1ccc(cc1)C)(O))NCC(NH+)1CCCCC1
CCC(=C1C(=O)N=C(N(C1=O)C2=CC=C(C=C2)C)(O))NCC(NH+)3CCCCC3
InChI=1SC21H28N4O3c1317(22111424125461324)1819(26)2321(28)25(20(18)27)169715(2)81016h71022H361114H212H3(H232628)b1817+
MFCD18249283
ZINC000020290199
ZINC20290199
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