Vitas-M small molecule compound
(5Z)-5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL149971
SMILES Fc1ccc(cc1)N1C(=NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)Br)C)/C1=O)S
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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 C23H17BrFN3O2S MW 498.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrFN3O2S/c1-13-11-15(14(2)27(13)18-7-3-16(24)4-8-18)12-20-21(29)26-23(31)28(22(20)30)19-9-5-17(25)6-10-19/h3-12H,1-2H3,(H,26,29,31)/b20-12-InChIKey
RZRYTFDDUNEIHW-NDENLUEZSA-NSynonyms
(5Z)5((1(4bromophenyl)25dimethyl1Hpyrrol3yl)methylidene)1(4fluorophenyl)2sulfanylpyrimidine46(1H5H)dione
(5Z)5((1(4BROMOPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(4FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
Fc1ccc(cc1)N1C(=NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)Br)C)C1=O)S
InChI=1SC23H17BrFN3O2Sc1131115(14(2)27(13)187316(24)4818)122021(29)2623(31)28(22(20)30)199517(25)61019h312H12H3(H262931)b2012
MFCD03805898
ZINC000001305767
ZINC01305767
ZINC1305767
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