Vitas-M small molecule compound
(6Z)-6-{[1-(3-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
STL224412
SMILES Fc1cccc(c1)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 C19H13F4N5OS MW 435.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13F4N5OS/c1-9-6-11(10(2)27(9)13-5-3-4-12(20)8-13)7-14-15(24)28-18(25-16(14)29)30-17(26-28)19(21,22)23/h3-8,24H,1-2H3/b14-7-,24-15-InChIKey
OHDHXBBINAYSEH-OVEUXDSDSA-NSynonyms
(6Z)6((1(3fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(trifluoromethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3fluorophenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(trifluoromethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
Fc1cccc(c1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F
MFCD24857761
ZINC000041076303
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