Vitas-M small molecule compound
(5Z)-1-(2,5-dimethylphenyl)-5-{4-[(4-nitrobenzyl)oxy]benzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL484444
SMILES Cc1ccc(c(c1)N1C(=O)NC(=O)/C(=C/c2ccc(cc2)OCc2ccc(cc2)[N+](=O)[O-])/C1=O)C
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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 C26H21N3O6 MW 471.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O6/c1-16-3-4-17(2)23(13-16)28-25(31)22(24(30)27-26(28)32)14-18-7-11-21(12-8-18)35-15-19-5-9-20(10-6-19)29(33)34/h3-14H,15H2,1-2H3,(H,27,30,32)/b22-14-InChIKey
KNOFLZTWECXKSI-HMAPJEAMSA-NSynonyms
(5Z)1(25dimethylphenyl)5((4((4nitrophenyl)methoxy)phenyl)methylidene)13diazinane246trione
(5Z)1(25dimethylphenyl)5(4((4nitrobenzyl)oxy)benzylidene)pyrimidine246(1H3H5H)trione
CC1=CC(=C(C=C1)C)N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=C(C=C4)(N+)(=O)(O))C(=O)NC2=O
Cc1ccc(c(c1)N1C(=O)NC(=O)C(=Cc2ccc(cc2)OCc2ccc(cc2)(N+)(=O)(O))C1=O)C
InChI=1SC26H21N3O6c1163417(2)23(1316)2825(31)22(24(30)2726(28)32)141871121(12818)3515195920(10619)29(33)34h314H15H212H3(H273032)b2214
MFCD30713524
ZINC000006797076
ZINC6797076
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