Vitas-M small molecule compound
(5E)-1-butyl-5-{1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene}-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL049303
SMILES CCCCN1C(=O)N=C(/C(=C(\NN2CC[NH+](CC2)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 C15H25N5O3 MW 323.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H25N5O3/c1-4-5-6-20-14(22)12(13(21)16-15(20)23)11(2)17-19-9-7-18(3)8-10-19/h17H,4-10H2,1-3H3,(H,16,21,23)/b12-11+InChIKey
GIMAIWWVYYEEPZ-VAWYXSNFSA-NSynonyms
(5E)1BUTYL5(1((4METHYLPIPERAZIN1YL)AMINO)ETHYLIDENE)13DIAZINANE246TRIONE
(5E)1butyl5(1((4methylpiperazin4ium1yl)amino)ethylidene)26dioxo1256tetrahydropyrimidin4olate
(5E)1BUTYL5(1((4METHYLPIPERAZIN4IUM1YL)AMINO)ETHYLIDENE)46DIOXOPYRIMIDIN2OLATE
CCCCN1C(=O)C(=C(C)NN2CCN(CC2)C)C(=O)NC1=O
CCCCN1C(=O)N=C(C(=C(NN2CC(NH+)(CC2)C)C)C1=O)(O)
InChI=1SC15H25N5O3c14562014(22)12(13(21)1615(20)23)11(2)17199718(3)81019h17H410H213H3(H162123)b1211+
MFCD18249257
ZINC000009328084
ZINC9328084
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