Vitas-M small molecule compound
(5E)-5-{1-[(4-methylpiperazin-4-ium-1-yl)amino]propylidene}-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL049628
SMILES C=CCN1C(=O)N=C(/C(=C(\NN2CC[NH+](CC2)C)/CC)/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 C15H23N5O3 MW 321.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H23N5O3/c1-4-6-20-14(22)12(13(21)16-15(20)23)11(5-2)17-19-9-7-18(3)8-10-19/h4,17H,1,5-10H2,2-3H3,(H,16,21,23)/b12-11+InChIKey
UAPRDMYNNJJJKI-VAWYXSNFSA-NSynonyms
(5E)5(1((4METHYLPIPERAZIN1YL)AMINO)PROPYLIDENE)1PROP2ENYL13DIAZINANE246TRIONE
(5E)5(1((4methylpiperazin4ium1yl)amino)propylidene)26dioxo1(prop2en1yl)1256tetrahydropyrimidin4olate
C=CCN1C(=O)N=C(C(=C(NN2CC(NH+)(CC2)C)CC)C1=O)(O)
CCC(=C1C(=O)NC(=O)N(C1=O)CC=C)NN2CCN(CC2)C
InChI=1SC15H23N5O3c1462014(22)12(13(21)1615(20)23)11(52)17199718(3)81019h417H1510H223H3(H162123)b1211+
MFCD18249280
ZINC000009349719
ZINC09349719
ZINC9349719
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