Vitas-M small molecule compound
(5Z)-1-(3-chloro-4-methylphenyl)-5-(3-ethoxy-4-hydroxy-5-iodobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK175142
SMILES CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(c(c2)Cl)C)cc(c1O)I
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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 C20H16ClIN2O5 MW 526.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClIN2O5/c1-3-29-16-8-11(7-15(22)17(16)25)6-13-18(26)23-20(28)24(19(13)27)12-5-4-10(2)14(21)9-12/h4-9,25H,3H2,1-2H3,(H,23,26,28)/b13-6-InChIKey
XBGZREUHCIRJOJ-MLPAPPSSSA-NSynonyms
(5Z)1(3chloro4methylphenyl)5((3ethoxy4hydroxy5iodophenyl)methylidene)13diazinane246trione
(5Z)1(3CHLORO4METHYLPHENYL)5(3ETHOXY4HYDROXY5IODOBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl)I)O
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(c(c2)Cl)C)cc(c1O)I
InChI=1SC20H16ClIN2O5c132916811(715(22)17(16)25)61318(26)2320(28)24(19(13)27)125410(2)14(21)912h4925H3H212H3(H232628)b136
MFCD03729384
ZINC000097960591
ZINC97960591
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