Vitas-M small molecule compound
(6Z)-6-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-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
STL224485
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cc(n(c1C)c1ccc(c(c1)C)C)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 C21H18F3N5OS MW 445.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F3N5OS/c1-10-5-6-15(7-11(10)2)28-12(3)8-14(13(28)4)9-16-17(25)29-20(26-18(16)30)31-19(27-29)21(22,23)24/h5-9,25H,1-4H3/b16-9-,25-17-InChIKey
KJAHDRFWFOQJOH-JXNXPVAVSA-NSynonyms
(6Z)6((1(34dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(trifluoromethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(34dimethylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(trifluoromethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD24857786
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1ccc(c(c1)C)C)C)C(F)(F)F
ZINC000041076298
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