Vitas-M small molecule compound
(5Z)-5-(1-{[4-(dimethylammonio)phenyl]amino}ethylidene)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL052314
SMILES C=CCN1C(=O)N=C(/C(=C(/Nc2ccc(cc2)[NH+](C)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 C17H20N4O3 MW 328.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O3/c1-5-10-21-16(23)14(15(22)19-17(21)24)11(2)18-12-6-8-13(9-7-12)20(3)4/h5-9,18H,1,10H2,2-4H3,(H,19,22,24)/b14-11-InChIKey
ZEVBUWAAEZLNGI-KAMYIIQDSA-NSynonyms
(5Z)5(1((4(dimethylammonio)phenyl)amino)ethylidene)26dioxo1(prop2en1yl)1256tetrahydropyrimidin4olate
(5Z)5(1(4(DIMETHYLAMINO)ANILINO)ETHYLIDENE)1PROP2ENYL13DIAZINANE246TRIONE
(5Z)5(1(4(DIMETHYLAZANIUMYL)ANILINO)ETHYLIDENE)46DIOXO1PROP2ENYLPYRIMIDIN2OLATE
C=CCN1C(=O)N=C(C(=C(Nc2ccc(cc2)(NH+)(C)C)C)C1=O)(O)
CC(=C1C(=O)N=C(N(C1=O)CC=C)(O))NC2=CC=C(C=C2)(NH+)(C)C
InChI=1SC17H20N4O3c15102116(23)14(15(22)1917(21)24)11(2)18126813(9712)20(3)4h5918H110H224H3(H192224)b1411
MFCD18249455
ZINC000018206398
ZINC18206398
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