Vitas-M small molecule compound
(5E)-1-(4-methylphenyl)-2,6-dioxo-5-[1-(piperidinium-1-ylamino)ethylidene]-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL050175
SMILES Cc1ccc(cc1)N1C(=O)N=C(/C(=C(\N[NH+]2CCCCC2)/C)/C1=O)[O-]
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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 C18H22N4O3 MW 342.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O3/c1-12-6-8-14(9-7-12)22-17(24)15(16(23)19-18(22)25)13(2)20-21-10-4-3-5-11-21/h6-9,20H,3-5,10-11H2,1-2H3,(H,19,23,25)/b15-13+InChIKey
GEANJONOAIPANP-FYWRMAATSA-NSynonyms
(5E)1(4methylphenyl)26dioxo5(1(piperidinium1ylamino)ethylidene)1256tetrahydropyrimidin4olate
(5E)1(4METHYLPHENYL)5(1(PIPERIDIN1YLAMINO)ETHYLIDENE)13DIAZINANE246TRIONE
CC1=CC=C(C=C1)N2C(=O)C(=C(C)NN3CCCCC3)C(=O)NC2=O
Cc1ccc(cc1)N1C(=O)N=C(C(=C(N(NH+)2CCCCC2)C)C1=O)(O)
InChI=1SC18H22N4O3c1126814(9712)2217(24)15(16(23)1918(22)25)13(2)2021104351121h6920H351011H212H3(H192325)b1513+
MFCD18249316
ZINC000009357292
ZINC9357292
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