Vitas-M small molecule compound
(5E)-5-{[1-(3,4-dichlorobenzyl)-1H-pyrrol-2-yl]methylidene}-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STK566431
SMILES Fc1ccc(cc1)N1C(=O)N=C(/C(=C\c2cccn2Cc2ccc(c(c2)Cl)Cl)/C1=O)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 C22H14Cl2FN3O3 MW 458.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14Cl2FN3O3/c23-18-8-3-13(10-19(18)24)12-27-9-1-2-16(27)11-17-20(29)26-22(31)28(21(17)30)15-6-4-14(25)5-7-15/h1-11H,12H2,(H,26,29,31)/b17-11+InChIKey
VSWGDWWOHWAIEW-GZTJUZNOSA-NSynonyms
673490-37-4(5E)5((1((34DICHLOROPHENYL)METHYL)PYRROL2YL)METHYLIDENE)1(4FLUOROPHENYL)13DIAZINANE246TRIONE
(5E)5((1(34dichlorobenzyl)1Hpyrrol2yl)methylidene)3(4fluorophenyl)6hydroxypyrimidine24(3H5H)dione
673490374
C1=CN(C(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)F)CC4=CC(=C(C=C4)Cl)Cl
Fc1ccc(cc1)N1C(=O)N=C(C(=Cc2cccn2Cc2ccc(c(c2)Cl)Cl)C1=O)O
InChI=1SC22H14Cl2FN3O3c23188313(1019(18)24)122791216(27)111720(29)2622(31)28(21(17)30)156414(25)5715h111H12H2(H262931)b1711+
MFCD04072593
ZINC000002259151
ZINC2259151
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