Vitas-M small molecule compound
(2Z)-4,4,4-trifluoro-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-1-phenylbutane-1,3-dione
Catalog ID
STK822090
SMILES O=C(/C(=C/c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/C(=O)C(F)(F)F)c1ccccc1
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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 C21H12F3NO5 MW 415.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12F3NO5/c22-21(23,24)20(27)17(19(26)13-5-2-1-3-6-13)12-16-9-10-18(30-16)14-7-4-8-15(11-14)25(28)29/h1-12H/b17-12-InChIKey
GIGNMMHBOUVZCZ-ATVHPVEESA-NSynonyms
(2Z)444trifluoro2((5(3nitrophenyl)furan2yl)methylidene)1phenylbutane13dione
C1=CC=C(C=C1)C(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)C(F)(F)F
InChI=1SC21H12F3NO5c2221(2324)20(27)17(19(26)135213613)121691018(3016)1474815(1114)25(28)29h112Hb1712
MFCD02669054
O=C(C(=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))C(=O)C(F)(F)F)c1ccccc1
ZINC000026967920
ZINC26967920
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