Vitas-M small molecule compound
(5E)-5-{1-[(2-ammoniocyclohexyl)amino]ethylidene}-1-cyclohexyl-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STK567968
SMILES O=C1N=C([O-])/C(=C(\NC2CCCCC2[NH3+])/C)/C(=O)N1C1CCCCC1
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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 C18H28N4O3 MW 348.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H28N4O3/c1-11(20-14-10-6-5-9-13(14)19)15-16(23)21-18(25)22(17(15)24)12-7-3-2-4-8-12/h12-14,20H,2-10,19H2,1H3,(H,21,23,25)/b15-11+InChIKey
AVYJCAHDYPQLRZ-RVDMUPIBSA-NSynonyms
(5E)5(1((2AMINOCYCLOHEXYL)AMINO)ETHYLIDENE)1CYCLOHEXYL13DIAZINANE246TRIONE
(5E)5(1((2ammoniocyclohexyl)amino)ethylidene)1cyclohexyl26dioxo1256tetrahydropyrimidin4olate
(5E)5(1((2azaniumylcyclohexyl)amino)ethylidene)1cyclohexyl46dioxopyrimidin2olate
CC(=C1C(=O)N=C(N(C1=O)C2CCCCC2)(O))NC3CCCCC3(NH3+)
InChI=1SC18H28N4O3c111(20141065913(14)19)1516(23)2118(25)22(17(15)24)127324812h121420H21019H21H3(H212325)b1511+
MFCD18245190
O=C1N=C((O))C(=C(NC2CCCCC2(NH3+))C)C(=O)N1C1CCCCC1
ZINC000019361585
ZINC000020331895
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