Vitas-M small molecule compound
(5Z)-1-(3,4-dichlorophenyl)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL484397
SMILES CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(c(c2)Cl)Cl)cc(c1O)[N+](=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 C19H13Cl2N3O7 MW 466.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13Cl2N3O7/c1-2-31-15-7-9(6-14(16(15)25)24(29)30)5-11-17(26)22-19(28)23(18(11)27)10-3-4-12(20)13(21)8-10/h3-8,25H,2H2,1H3,(H,22,26,28)/b11-5-InChIKey
PUEKVQNHWUSTRO-WZUFQYTHSA-NSynonyms
(5Z)1(34dichlorophenyl)5((3ethoxy4hydroxy5nitrophenyl)methylidene)13diazinane246trione
(5Z)1(34dichlorophenyl)5(3ethoxy4hydroxy5nitrobenzylidene)pyrimidine246(1H3H5H)trione
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C=C2C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(c(c2)Cl)Cl)cc(c1O)(N+)(=O)(O)
InChI=1SC19H13Cl2N3O7c12311579(614(16(15)25)24(29)30)51117(26)2219(28)23(18(11)27)103412(20)13(21)810h3825H2H21H3(H222628)b115
MFCD30713486
ZINC000038166665
ZINC38166665
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