Vitas-M small molecule compound
(5E)-1-(4-chlorophenyl)-5-(1-{[2-(morpholin-4-ium-4-yl)ethyl]amino}ethylidene)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STK569259
SMILES Clc1ccc(cc1)N1C(=O)N=C(/C(=C(\NCC[NH+]2CCOCC2)/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 C18H21ClN4O4 MW 392.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21ClN4O4/c1-12(20-6-7-22-8-10-27-11-9-22)15-16(24)21-18(26)23(17(15)25)14-4-2-13(19)3-5-14/h2-5,20H,6-11H2,1H3,(H,21,24,26)/b15-12+InChIKey
VNWCKLXOGRUCQN-NTCAYCPXSA-NSynonyms
(5E)1(4chlorophenyl)5(1((2(morpholin4ium4yl)ethyl)amino)ethylidene)26dioxo1256tetrahydropyrimidin4olate
(5E)1(4CHLOROPHENYL)5(1(2MORPHOLIN4IUM4YLETHYLAMINO)ETHYLIDENE)46DIOXOPYRIMIDIN2OLATE
(5E)1(4CHLOROPHENYL)5(1(2MORPHOLIN4YLETHYLAMINO)ETHYLIDENE)13DIAZINANE246TRIONE
CC(=C1C(=O)N=C(N(C1=O)C2=CC=C(C=C2)Cl)(O))NCC(NH+)3CCOCC3
Clc1ccc(cc1)N1C(=O)N=C(C(=C(NCC(NH+)2CCOCC2)C)C1=O)(O)
InChI=1SC18H21ClN4O4c112(2067228102711922)1516(24)2118(26)23(17(15)25)144213(19)3514h2520H611H21H3(H212426)b1512+
MFCD18245278
ZINC000001272181
ZINC01272181
ZINC1272181
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