Vitas-M small molecule compound
(6E)-6-[(1-benzyl-1H-indol-3-yl)methylidene]-5-imino-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK007637
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C\c1cn(c2c1cccc2)Cc1ccccc1)C(F)(F)F
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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 C22H14F3N5OS MW 453.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14F3N5OS/c23-22(24,25)20-28-30-18(26)16(19(31)27-21(30)32-20)10-14-12-29(11-13-6-2-1-3-7-13)17-9-5-4-8-15(14)17/h1-10,12,26H,11H2/b16-10+,26-18+InChIKey
WZZUWCLPKUCSBO-DUFFLHIFSA-NSynonyms
(6E)6((1benzyl1Hindol3yl)methylidene)5imino2(trifluoromethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6((1benzyl1Hindol3yl)methylene)5imino2(trifluoromethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD02753187
O=C1N=c2sc(nn2C(=N)C1=Cc1cn(c2c1cccc2)Cc1ccccc1)C(F)(F)F
STK007637
ZINC000006446444
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