Vitas-M small molecule compound
(5E)-1-cyclopentyl-5-{[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL367751
SMILES Clc1cc(Cl)cc(c1)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=O)N(C1=O)C1CCCC1
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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 C22H21Cl2N3O3 MW 446.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21Cl2N3O3/c1-12-7-14(13(2)26(12)18-10-15(23)9-16(24)11-18)8-19-20(28)25-22(30)27(21(19)29)17-5-3-4-6-17/h7-11,17H,3-6H2,1-2H3,(H,25,28,30)/b19-8+InChIKey
RMOVFYFDKAOTRU-UFWORHAWSA-NSynonyms
(5E)1cyclopentyl5((1(35dichlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)pyrimidine246(1H3H5H)trione
(5E)1CYCLOPENTYL5((1(35DICHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)13DIAZINANE246TRIONE
CC1=CC(=C(N1C2=CC(=CC(=C2)Cl)Cl)C)C=C3C(=O)NC(=O)N(C3=O)C4CCCC4
Clc1cc(Cl)cc(c1)n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)C1CCCC1
InChI=1SC22H21Cl2N3O3c112714(13(2)26(12)181015(23)916(24)1118)81920(28)2522(30)27(21(19)29)17534617h71117H36H212H3(H252830)b198+
MFCD05128845
ZINC000033305848
ZINC33305848
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