Vitas-M small molecule compound
(5E)-5-{1-[(2-ammoniophenyl)amino]ethylidene}-1-butyl-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL056140
SMILES CCCCN1C(=O)N=C(/C(=C(\Nc2ccccc2[NH3+])/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 C16H20N4O3 MW 316.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N4O3/c1-3-4-9-20-15(22)13(14(21)19-16(20)23)10(2)18-12-8-6-5-7-11(12)17/h5-8,18H,3-4,9,17H2,1-2H3,(H,19,21,23)/b13-10+InChIKey
UJEMILQVJMHBQE-JLHYYAGUSA-NSynonyms
(5E)5(1((2ammoniophenyl)amino)ethylidene)1butyl26dioxo1256tetrahydropyrimidin4olate
(5E)5(1(2AMINOANILINO)ETHYLIDENE)1BUTYL13DIAZINANE246TRIONE
CCCCN1C(=O)C(=C(C)NC2=CC=CC=C2N)C(=O)NC1=O
CCCCN1C(=O)N=C(C(=C(Nc2ccccc2(NH3+))C)C1=O)(O)
InChI=1SC16H20N4O3c13492015(22)13(14(21)1916(20)23)10(2)1812865711(12)17h5818H34917H212H3(H192123)b1310+
MFCD18249718
ZINC000009357713
ZINC09357713
ZINC9357713
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