Vitas-M small molecule compound
(5E)-5-{[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene}-3-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STL058445
SMILES Clc1ccc(cc1)N1C(=O)N=C(/C(=C\c2ccc(o2)c2ccc(cc2Br)C)/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 C22H14BrClN2O4 MW 485.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14BrClN2O4/c1-12-2-8-16(18(23)10-12)19-9-7-15(30-19)11-17-20(27)25-22(29)26(21(17)28)14-5-3-13(24)4-6-14/h2-11H,1H3,(H,25,27,29)/b17-11+InChIKey
QBILDHIFTHDTGC-GZTJUZNOSA-NSynonyms
(5E)5((5(2BROMO4METHYLPHENYL)FURAN2YL)METHYLIDENE)1(4CHLOROPHENYL)13DIAZINANE246TRIONE
(5E)5((5(2BROMO4METHYLPHENYL)FURAN2YL)METHYLIDENE)3(4CHLOROPHENYL)6HYDROXYPYRIMIDINE24(3H5H)DIONE
CC1=CC(=C(C=C1)C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl)Br
Clc1ccc(cc1)N1C(=O)N=C(C(=Cc2ccc(o2)c2ccc(cc2Br)C)C1=O)O
InChI=1SC22H14BrClN2O4c1122816(18(23)1012)199715(3019)111720(27)2522(29)26(21(17)28)145313(24)4614h211H1H3(H252729)b1711+
MFCD08736487
ZINC000008766815
ZINC08766815
ZINC8766815
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