Vitas-M small molecule compound

(5E)-5-(3-chloro-4,5-diethoxybenzylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK170649
SMILES CCOc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCC)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 C21H18Cl2N2O5 MW 449.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Cl2N2O5/c1-3-29-17-11-12(10-16(23)18(17)30-4-2)9-15-19(26)24-21(28)25(20(15)27)14-7-5-13(22)6-8-14/h5-11H,3-4H2,1-2H3,(H,24,26,28)/b15-9+
InChIKey
XEKSMVDWGLBKTG-OQLLNIDSSA-N
Synonyms

(5E)5((3CHLORO45DIETHOXYPHENYL)METHYLIDENE)1(4CHLOROPHENYL)13DIAZINANE246TRIONE
(5E)5(3CHLORO45DIETHOXYBENZYLIDENE)1(4CHLOROPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)Cl)OCC
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCC)Cl
InChI=1SC21H18Cl2N2O5c1329171112(1016(23)18(17)3042)91519(26)2421(28)25(20(15)27)147513(22)6814h511H34H212H3(H242628)b159+
MFCD02215116
ZINC000002947080
ZINC02947080
ZINC2947080

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Available files

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