Vitas-M small molecule compound
(5E)-1-(4-ethylphenyl)-5-(4-methoxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK175235
SMILES CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(c(c2)[N+](=O)[O-])OC)/C1=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 C20H17N3O6 MW 395.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O6/c1-3-12-4-7-14(8-5-12)22-19(25)15(18(24)21-20(22)26)10-13-6-9-17(29-2)16(11-13)23(27)28/h4-11H,3H2,1-2H3,(H,21,24,26)/b15-10+InChIKey
POVVSUYVJYKDHW-XNTDXEJSSA-NSynonyms
(5E)1(4ETHYLPHENYL)5((4METHOXY3NITROPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(4ETHYLPHENYL)5(4METHOXY3NITROBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC)(N+)(=O)(O))C(=O)NC2=O
CCc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(c(c2)(N+)(=O)(O))OC)C1=O
InChI=1SC20H17N3O6c13124714(8512)2219(25)15(18(24)2120(22)26)10136917(292)16(1113)23(27)28h411H3H212H3(H212426)b1510+
MFCD04555252
ZINC000001164149
ZINC1164149
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