Vitas-M small molecule compound
(5E)-1-(3-chloro-4-methoxyphenyl)-5-{[1-(2-fluorobenzyl)-1H-pyrrol-2-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK712581
SMILES COc1ccc(cc1Cl)N1C(=O)NC(=O)/C(=C\c2cccn2Cc2ccccc2F)/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 C23H17ClFN3O4 MW 453.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClFN3O4/c1-32-20-9-8-16(12-18(20)24)28-22(30)17(21(29)26-23(28)31)11-15-6-4-10-27(15)13-14-5-2-3-7-19(14)25/h2-12H,13H2,1H3,(H,26,29,31)/b17-11+InChIKey
HWHYGQIJKOFOHO-GZTJUZNOSA-NSynonyms
(5E)1(3CHLORO4METHOXYPHENYL)5((1((2FLUOROPHENYL)METHYL)PYRROL2YL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(3chloro4methoxyphenyl)5((1(2fluorobenzyl)1Hpyrrol2yl)methylidene)pyrimidine246(1H3H5H)trione
(Z)1(3chloro4methoxyphenyl)5((1(2fluorobenzyl)1Hpyrrol2yl)methylene)pyrimidine246(1H3H5H)trione
COC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=CN3CC4=CC=CC=C4F)C(=O)NC2=O)Cl
COc1ccc(cc1Cl)N1C(=O)NC(=O)C(=Cc2cccn2Cc2ccccc2F)C1=O
InChI=1SC23H17ClFN3O4c132209816(1218(20)24)2822(30)17(21(29)2623(28)31)1115641027(15)1314523719(14)25h212H13H21H3(H262931)b1711+
MFCD13371452
ZINC000013570413
ZINC13570413
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