Vitas-M small molecule compound
(6Z)-6-{[1-(3-chloro-4-fluorophenyl)-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
STL145976
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cc(n(c1C)c1ccc(c(c1)Cl)F)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 C19H12ClF4N5OS MW 469.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12ClF4N5OS/c1-8-5-10(9(2)28(8)11-3-4-14(21)13(20)7-11)6-12-15(25)29-18(26-16(12)30)31-17(27-29)19(22,23)24/h3-7,25H,1-2H3/b12-6-,25-15-InChIKey
FHKQNMZXIHOBGM-BQONQWOLSA-NSynonyms
(6Z)6((1(3chloro4fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(trifluoromethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro4fluorophenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(trifluoromethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD20731934
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1ccc(c(c1)Cl)F)C)C(F)(F)F
ZINC000033379009
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