Vitas-M small molecule compound
(5E)-1-(4-chlorophenyl)-2,6-dioxo-5-(1-{[2-(piperazin-1-ium-1-yl)ethyl]amino}ethylidene)-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL049665
SMILES Clc1ccc(cc1)N1C(=O)N=C(/C(=C(\NCC[NH+]2CCNCC2)/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 C18H22ClN5O3 MW 391.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22ClN5O3/c1-12(21-8-11-23-9-6-20-7-10-23)15-16(25)22-18(27)24(17(15)26)14-4-2-13(19)3-5-14/h2-5,20-21H,6-11H2,1H3,(H,22,25,27)/b15-12+InChIKey
WZCSGLZPTNMYSH-NTCAYCPXSA-NSynonyms
(5E)1(4chlorophenyl)26dioxo5(1((2(piperazin1ium1yl)ethyl)amino)ethylidene)1256tetrahydropyrimidin4olate
(5E)1(4chlorophenyl)46dioxo5(1(2piperazin1ium1ylethylamino)ethylidene)pyrimidin2olate
(5E)1(4CHLOROPHENYL)5(1(2PIPERAZIN1YLETHYLAMINO)ETHYLIDENE)13DIAZINANE246TRIONE
CC(=C1C(=O)N=C(N(C1=O)C2=CC=C(C=C2)Cl)(O))NCC(NH+)3CCNCC3
Clc1ccc(cc1)N1C(=O)N=C(C(=C(NCC(NH+)2CCNCC2)C)C1=O)(O)
InChI=1SC18H22ClN5O3c112(2181123962071023)1516(25)2218(27)24(17(15)26)144213(19)3514h252021H611H21H3(H222527)b1512+
MFCD18249282
ZINC000019367855
ZINC19367855
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