Vitas-M small molecule compound
(5E)-1-(2-chlorobenzyl)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL417104
SMILES O=C1NC(=O)N(C(=O)/C/1=C/c1ccc(o1)c1cccc(c1)[N+](=O)[O-])Cc1ccccc1Cl
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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 C22H14ClN3O6 MW 451.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14ClN3O6/c23-18-7-2-1-4-14(18)12-25-21(28)17(20(27)24-22(25)29)11-16-8-9-19(32-16)13-5-3-6-15(10-13)26(30)31/h1-11H,12H2,(H,24,27,29)/b17-11+InChIKey
SMGUVRHQFAUOOI-GZTJUZNOSA-NSynonyms
(5E)1((2CHLOROPHENYL)METHYL)5((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(2chlorobenzyl)5((5(3nitrophenyl)furan2yl)methylidene)pyrimidine246(1H3H5H)trione
C1=CC=C(C(=C1)CN2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)NC2=O)Cl
InChI=1SC22H14ClN3O6c2318721414(18)122521(28)17(20(27)2422(25)29)11168919(3216)1353615(1013)26(30)31h111H12H2(H242729)b1711+
MFCD03994520
O=C1NC(=O)N(C(=O)C1=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))Cc1ccccc1Cl
ZINC000001134267
ZINC1134267
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