Vitas-M small molecule compound
(6Z)-6-({2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK712731
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cc(n(c1C)c1cccc(c1)C(F)(F)F)C)C(C)C
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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 C22H20F3N5OS MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20F3N5OS/c1-11(2)20-28-30-18(26)17(19(31)27-21(30)32-20)9-14-8-12(3)29(13(14)4)16-7-5-6-15(10-16)22(23,24)25/h5-11,26H,1-4H3/b17-9-,26-18-InChIKey
FLBRPQLYTFHXPB-FOQXSCBYSA-NSynonyms
(6Z)6((25dimethyl1(3(trifluoromethyl)phenyl)1Hpyrrol3yl)methylidene)5imino2(propan2yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1(3(trifluoromethyl)phenyl)1Hpyrrol3yl)methylene)5imino2isopropyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD13371475
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1cccc(c1)C(F)(F)F)C)C(C)C
ZINC000034795181
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