Vitas-M small molecule compound
(5E)-5-[(azepanium-1-ylamino)methylidene]-2,6-dioxo-1-(2-phenylethyl)-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL040824
SMILES O=C1N=C([O-])/C(=C\N[NH+]2CCCCCC2)/C(=O)N1CCc1ccccc1
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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 C19H24N4O3 MW 356.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24N4O3/c24-17-16(14-20-22-11-6-1-2-7-12-22)18(25)23(19(26)21-17)13-10-15-8-4-3-5-9-15/h3-5,8-9,14,20H,1-2,6-7,10-13H2,(H,21,24,26)/b16-14+InChIKey
YIJBKIRQOJQKBU-JQIJEIRASA-NSynonyms
(5E)5((azepan1ylamino)methylidene)1(2phenylethyl)13diazinane246trione
(5E)5((AZEPAN1YLAMINO)METHYLIDENE)1PHENETHYL13DIAZINANE246TRIONE
(5E)5((azepanium1ylamino)methylidene)26dioxo1(2phenylethyl)1256tetrahydropyrimidin4olate
C1CCCN(CC1)NC=C2C(=O)NC(=O)N(C2=O)CCC3=CC=CC=C3
InChI=1SC19H24N4O3c241716(1420221161271222)18(25)23(19(26)2117)1310158435915h35891420H12671013H2(H212426)b1614+
MFCD18248065
O=C1N=C((O))C(=CN(NH+)2CCCCCC2)C(=O)N1CCc1ccccc1
ZINC000005100792
ZINC05100792
ZINC5100792
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