Vitas-M small molecule compound
(5E)-5-{[1-(2-methoxy-5-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK035201
SMILES COc1ccc(cc1n1c(C)cc(c1C)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)C)[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 C25H22N4O6 MW 474.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O6/c1-14-5-7-18(8-6-14)28-24(31)20(23(30)26-25(28)32)12-17-11-15(2)27(16(17)3)21-13-19(29(33)34)9-10-22(21)35-4/h5-13H,1-4H3,(H,26,30,32)/b20-12+InChIKey
YVTLOTWWQXBKOS-UDWIEESQSA-NSynonyms
(5E)5((1(2METHOXY5NITROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(4METHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
(5E)5((1(2METHOXY5NITROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(4METHYLPHENYL)13DIAZINANE246TRIONE
CC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=C(C=CC(=C4)(N+)(=O)(O))OC)C)C(=O)NC2=O
COc1ccc(cc1n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C)(N+)(=O)(O)
InChI=1SC25H22N4O6c1145718(8614)2824(31)20(23(30)2625(28)32)12171115(2)27(16(17)3)211319(29(33)34)91022(21)354h513H14H3(H263032)b2012+
MFCD03247471
STK035201
ZINC000009246618
ZINC9246618
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