Vitas-M small molecule compound
(5Z)-1-(2,5-dimethylphenyl)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL484450
SMILES CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2cc(C)ccc2C)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 C21H19N3O7 MW 425.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O7/c1-4-31-17-10-13(9-16(18(17)25)24(29)30)8-14-19(26)22-21(28)23(20(14)27)15-7-11(2)5-6-12(15)3/h5-10,25H,4H2,1-3H3,(H,22,26,28)/b14-8-InChIKey
WIPCFEVCPANGHO-ZSOIEALJSA-NSynonyms
(5Z)1(25dimethylphenyl)5((3ethoxy4hydroxy5nitrophenyl)methylidene)13diazinane246trione
(5Z)1(25dimethylphenyl)5(3ethoxy4hydroxy5nitrobenzylidene)pyrimidine246(1H3H5H)trione
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C=C2C(=O)NC(=O)N(C2=O)C3=C(C=CC(=C3)C)C
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cc(C)ccc2C)cc(c1O)(N+)(=O)(O)
InChI=1SC21H19N3O7c1431171013(916(18(17)25)24(29)30)81419(26)2221(28)23(20(14)27)15711(2)5612(15)3h51025H4H213H3(H222628)b148
MFCD30713530
ZINC000038163790
ZINC38163790
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