Vitas-M small molecule compound
(5E)-5-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187485
SMILES Fc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)Cc2ccccc2)C)/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 C24H20FN3O2S MW 433.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20FN3O2S/c1-15-12-18(16(2)27(15)14-17-6-4-3-5-7-17)13-21-22(29)26-24(31)28(23(21)30)20-10-8-19(25)9-11-20/h3-13H,14H2,1-2H3,(H,26,29,31)/b21-13+InChIKey
YRIAWNBIEFFIPL-FYJGNVAPSA-NSynonyms
(5E)5((1BENZYL25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(4FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1BENZYL25DIMETHYLPYRROL3YL)METHYLIDENE)1(4FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1CC2=CC=CC=C2)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F
Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)Cc2ccccc2)C)C1=O
InChI=1SC24H20FN3O2Sc1151218(16(2)27(15)14176435717)132122(29)2624(31)28(23(21)30)2010819(25)91120h313H14H212H3(H262931)b2113+
MFCD03715508
ZINC000001149628
ZINC01149628
ZINC1149628
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