Vitas-M small molecule compound
(6E)-6-({2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-(furan-2-yl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224813
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C\c1cc(n(c1C)c1cccc(c1)C(F)(F)F)C)c1ccco1
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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 C23H16F3N5O2S MW 483.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16F3N5O2S/c1-12-9-14(13(2)30(12)16-6-3-5-15(11-16)23(24,25)26)10-17-19(27)31-22(28-20(17)32)34-21(29-31)18-7-4-8-33-18/h3-11,27H,1-2H3/b17-10+,27-19-InChIKey
FCBUYKQDBIHBQU-XRSANKSGSA-NSynonyms
1392297-89-0(6E)6((25dimethyl1(3(trifluoromethyl)phenyl)1Hpyrrol3yl)methylidene)2(furan2yl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1(3(trifluoromethyl)phenyl)1Hpyrrol3yl)methylene)2(furan2yl)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
1392297890
MFCD05677708
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1cccc(c1)C(F)(F)F)C)c1ccco1
ZINC000009273391
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