Vitas-M small molecule compound
(5E)-1-(4-chlorophenyl)-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK176357
SMILES COc1cc(cc(c1O)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl)[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 C18H12ClN3O7 MW 417.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClN3O7/c1-29-14-8-12(22(27)28)6-9(15(14)23)7-13-16(24)20-18(26)21(17(13)25)11-4-2-10(19)3-5-11/h2-8,23H,1H3,(H,20,24,26)/b13-7+InChIKey
KDYSIWUHBUPDMJ-NTUHNPAUSA-NSynonyms
(5E)1(4CHLOROPHENYL)5((2HYDROXY3METHOXY5NITROPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(4CHLOROPHENYL)5(2HYDROXY3METHOXY5NITROBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
COC1=C(C(=CC(=C1)(N+)(=O)(O))C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)O
COc1cc(cc(c1O)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl)(N+)(=O)(O)
InChI=1SC18H12ClN3O7c12914812(22(27)28)69(15(14)23)71316(24)2018(26)21(17(13)25)114210(19)3511h2823H1H3(H202426)b137+
MFCD02108611
ZINC000095531939
ZINC95531939
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