Vitas-M small molecule compound
(6Z)-6-{[1-(3-chloro-4-methoxyphenyl)-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
STL224805
SMILES COc1ccc(cc1Cl)n1c(C)cc(c1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)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 C20H15ClF3N5O2S MW 481.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClF3N5O2S/c1-9-6-11(10(2)28(9)12-4-5-15(31-3)14(21)8-12)7-13-16(25)29-19(26-17(13)30)32-18(27-29)20(22,23)24/h4-8,25H,1-3H3/b13-7-,25-16-InChIKey
RFIIHUMQMBWBAC-UGZFLKGZSA-NSynonyms
(6Z)6((1(3chloro4methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(trifluoromethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro4methoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(trifluoromethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
COc1ccc(cc1Cl)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F
MFCD24857898
ZINC000033910938
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