Vitas-M small molecule compound
(5E)-1-(4-iodophenyl)-2,6-dioxo-5-({[3-(piperidinium-1-yl)propyl]amino}methylidene)-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL052938
SMILES Ic1ccc(cc1)N1C(=O)N=C(/C(=C\NCCC[NH+]2CCCCC2)/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 C19H23IN4O3 MW 482.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23IN4O3/c20-14-5-7-15(8-6-14)24-18(26)16(17(25)22-19(24)27)13-21-9-4-12-23-10-2-1-3-11-23/h5-8,13,21H,1-4,9-12H2,(H,22,25,27)/b16-13+InChIKey
POOXLLRNYKNUEP-DTQAZKPQSA-NSynonyms
(5E)1(4iodophenyl)26dioxo5(((3(piperidinium1yl)propyl)amino)methylidene)1256tetrahydropyrimidin4olate
(5E)1(4IODOPHENYL)46DIOXO5((3PIPERIDIN1IUM1YLPROPYLAMINO)METHYLIDENE)PYRIMIDIN2OLATE
(5E)1(4IODOPHENYL)5((3PIPERIDIN1YLPROPYLAMINO)METHYLIDENE)13DIAZINANE246TRIONE
C1CC(NH+)(CC1)CCCNC=C2C(=O)N=C(N(C2=O)C3=CC=C(C=C3)I)(O)
Ic1ccc(cc1)N1C(=O)N=C(C(=CNCCC(NH+)2CCCCC2)C1=O)(O)
InChI=1SC19H23IN4O3c20145715(8614)2418(26)16(17(25)2219(24)27)1321941223102131123h581321H14912H2(H222527)b1613+
MFCD18249503
ZINC000020291181
ZINC20291181
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