Vitas-M small molecule compound
(6Z)-6-{[2,5-dimethyl-1-(naphthalen-2-yl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224671
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cc(n(c1C)c1ccc2c(c1)cccc2)C)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 C23H16F3N5OS MW 467.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16F3N5OS/c1-12-9-16(13(2)30(12)17-8-7-14-5-3-4-6-15(14)10-17)11-18-19(27)31-22(28-20(18)32)33-21(29-31)23(24,25)26/h3-11,27H,1-2H3/b18-11-,27-19-InChIKey
NPIORKJWNNZGOJ-DCKVYROHSA-NSynonyms
(6Z)6((25dimethyl1(naphthalen2yl)1Hpyrrol3yl)methylidene)5imino2(trifluoromethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1(naphthalen2yl)1Hpyrrol3yl)methylene)5imino2(trifluoromethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD24857849
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1ccc2c(c1)cccc2)C)C(F)(F)F
ZINC000033587171
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