Vitas-M small molecule compound
(5E)-5-(1-{[2-(4-acetylpiperazin-1-ium-1-yl)ethyl]amino}ethylidene)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STK568032
SMILES C=CCN1C(=O)N=C(/C(=C(\NCC[NH+]2CCN(CC2)C(=O)C)/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 C17H25N5O4 MW 363.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H25N5O4/c1-4-6-22-16(25)14(15(24)19-17(22)26)12(2)18-5-7-20-8-10-21(11-9-20)13(3)23/h4,18H,1,5-11H2,2-3H3,(H,19,24,26)/b14-12+InChIKey
YPIHKNDRVMWEPV-WYMLVPIESA-NSynonyms
(5E)5(1((2(4acetylpiperazin1ium1yl)ethyl)amino)ethylidene)26dioxo1(prop2en1yl)1256tetrahydropyrimidin4olate
(5E)5(1(2(4ACETYLPIPERAZIN1IUM1YL)ETHYLAMINO)ETHYLIDENE)46DIOXO1PROP2ENYLPYRIMIDIN2OLATE
(5E)5(1(2(4ACETYLPIPERAZIN1YL)ETHYLAMINO)ETHYLIDENE)1PROP2ENYL13DIAZINANE246TRIONE
C=CCN1C(=O)N=C(C(=C(NCC(NH+)2CCN(CC2)C(=O)C)C)C1=O)(O)
CC(=C1C(=O)NC(=O)N(C1=O)CC=C)NCCN2CCN(CC2)C(=O)C
InChI=1SC17H25N5O4c1462216(25)14(15(24)1917(22)26)12(2)18572081021(11920)13(3)23h418H1511H223H3(H192426)b1412+
MFCD18245196
ZINC000001294798
ZINC01294798
ZINC1294798
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