Vitas-M small molecule compound
(5E)-5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-(2,3-dichlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK108413
SMILES O=C1NC(=O)N(C(=O)/C/1=C/c1cc(n(c1C)C1CCCCC1)C)c1cccc(c1Cl)Cl
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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 C23H23Cl2N3O3 MW 460.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23Cl2N3O3/c1-13-11-15(14(2)27(13)16-7-4-3-5-8-16)12-17-21(29)26-23(31)28(22(17)30)19-10-6-9-18(24)20(19)25/h6,9-12,16H,3-5,7-8H2,1-2H3,(H,26,29,31)/b17-12+InChIKey
DNQWOSAGVNTNRI-SFQUDFHCSA-NSynonyms
(5E)5((1CYCLOHEXYL25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(23DICHLOROPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
(5E)5((1CYCLOHEXYL25DIMETHYLPYRROL3YL)METHYLIDENE)1(23DICHLOROPHENYL)13DIAZINANE246TRIONE
CC1=CC(=C(N1C2CCCCC2)C)C=C3C(=O)NC(=O)N(C3=O)C4=C(C(=CC=C4)Cl)Cl
InChI=1SC23H23Cl2N3O3c1131115(14(2)27(13)167435816)121721(29)2623(31)28(22(17)30)19106918(24)20(19)25h691216H3578H212H3(H262931)b1712+
MFCD03923274
O=C1NC(=O)N(C(=O)C1=Cc1cc(n(c1C)C1CCCCC1)C)c1cccc(c1Cl)Cl
ZINC000012466752
ZINC12466752
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