Vitas-M small molecule compound
(5E)-1-(3-fluorophenyl)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK050928
SMILES Fc1cccc(c1)N1C(=O)NC(=O)/C(=C\c2cc(n(c2C)c2cccc(c2)F)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 C23H17F2N3O3 MW 421.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17F2N3O3/c1-13-9-15(14(2)27(13)18-7-3-5-16(24)11-18)10-20-21(29)26-23(31)28(22(20)30)19-8-4-6-17(25)12-19/h3-12H,1-2H3,(H,26,29,31)/b20-10+InChIKey
SINZPVZTZOPMNO-KEBDBYFISA-NSynonyms
(5E)1(3FLUOROPHENYL)5((1(3FLUOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
(5E)1(3FLUOROPHENYL)5((1(3FLUOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)13DIAZINANE246TRIONE
CC1=CC(=C(N1C2=CC(=CC=C2)F)C)C=C3C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)F
Fc1cccc(c1)N1C(=O)NC(=O)C(=Cc2cc(n(c2C)c2cccc(c2)F)C)C1=O
InChI=1SC23H17F2N3O3c113915(14(2)27(13)1873516(24)1118)102021(29)2623(31)28(22(20)30)1984617(25)1219h312H12H3(H262931)b2010+
MFCD02778197
STK050928
ZINC000001186787
ZINC01186787
ZINC1186787
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