Vitas-M small molecule compound
(5Z)-1-(3-chloro-2-methylphenyl)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL484469
SMILES CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2cccc(c2C)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 C20H16ClN3O7 MW 445.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O7/c1-3-31-16-9-11(8-15(17(16)25)24(29)30)7-12-18(26)22-20(28)23(19(12)27)14-6-4-5-13(21)10(14)2/h4-9,25H,3H2,1-2H3,(H,22,26,28)/b12-7-InChIKey
GOVMUTLUPYGYMP-GHXNOFRVSA-NSynonyms
(5Z)1(3chloro2methylphenyl)5((3ethoxy4hydroxy5nitrophenyl)methylidene)13diazinane246trione
(5Z)1(3chloro2methylphenyl)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)Cl)C
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(c2C)Cl)cc(c1O)(N+)(=O)(O)
InChI=1SC20H16ClN3O7c133116911(815(17(16)25)24(29)30)71218(26)2220(28)23(19(12)27)1464513(21)10(14)2h4925H3H212H3(H222628)b127
MFCD30713541
ZINC000038185377
ZINC38185377
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