Vitas-M small molecule compound
(5E)-5-{[1-(4-chlorobenzyl)-1H-pyrrol-2-yl]methylidene}-1-(3-chloro-4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK712615
SMILES COc1ccc(cc1Cl)N1C(=O)NC(=O)/C(=C\c2cccn2Cc2ccc(cc2)Cl)/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 C23H17Cl2N3O4 MW 470.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17Cl2N3O4/c1-32-20-9-8-17(12-19(20)25)28-22(30)18(21(29)26-23(28)31)11-16-3-2-10-27(16)13-14-4-6-15(24)7-5-14/h2-12H,13H2,1H3,(H,26,29,31)/b18-11+InChIKey
MRQYBNCCGNADLD-WOJGMQOQSA-NSynonyms
(5E)1(3chloro4methoxyphenyl)5((1((4chlorophenyl)methyl)pyrrol2yl)methylidene)13diazinane246trione
(5E)5((1(4chlorobenzyl)1Hpyrrol2yl)methylidene)1(3chloro4methoxyphenyl)pyrimidine246(1H3H5H)trione
(Z)1(3chloro4methoxyphenyl)5((1(4chlorobenzyl)1Hpyrrol2yl)methylene)pyrimidine246(1H3H5H)trione
COC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=CN3CC4=CC=C(C=C4)Cl)C(=O)NC2=O)Cl
COc1ccc(cc1Cl)N1C(=O)NC(=O)C(=Cc2cccn2Cc2ccc(cc2)Cl)C1=O
InChI=1SC23H17Cl2N3O4c132209817(1219(20)25)2822(30)18(21(29)2623(28)31)1116321027(16)13144615(24)7514h212H13H21H3(H262931)b1811+
MFCD13371463
ZINC000008739097
ZINC8739097
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