Vitas-M small molecule compound
(5E)-1-(3,5-dimethylphenyl)-5-[4-(2,4-dinitrophenoxy)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK176832
SMILES Cc1cc(C)cc(c1)N1C(=O)NC(=O)/C(=C\c2ccc(cc2)Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])/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 C25H18N4O8 MW 502.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N4O8/c1-14-9-15(2)11-18(10-14)27-24(31)20(23(30)26-25(27)32)12-16-3-6-19(7-4-16)37-22-8-5-17(28(33)34)13-21(22)29(35)36/h3-13H,1-2H3,(H,26,30,32)/b20-12+InChIKey
WJAUHKQUYKYXRP-UDWIEESQSA-NSynonyms
(5E)1(35dimethylphenyl)5((4(24dinitrophenoxy)phenyl)methylidene)13diazinane246trione
(5E)1(35DIMETHYLPHENYL)5(4(24DINITROPHENOXY)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(C=C3)OC4=C(C=C(C=C4)(N+)(=O)(O))(N+)(=O)(O))C(=O)NC2=O)C
Cc1cc(C)cc(c1)N1C(=O)NC(=O)C(=Cc2ccc(cc2)Oc2ccc(cc2(N+)(=O)(O))(N+)(=O)(O))C1=O
InChI=1SC25H18N4O8c114915(2)1118(1014)2724(31)20(23(30)2625(27)32)12163619(7416)37228517(28(33)34)1321(22)29(35)36h313H12H3(H263032)b2012+
MFCD01610222
ZINC000100192369
ZINC100192369
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