Vitas-M small molecule compound
(6Z)-6-{[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-cyclohexyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224831
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cc(n(c1C)c1ccc(c(c1)Cl)F)C)C1CCCCC1
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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 C24H23ClFN5OS MW 484.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23ClFN5OS/c1-13-10-16(14(2)30(13)17-8-9-20(26)19(25)12-17)11-18-21(27)31-24(28-22(18)32)33-23(29-31)15-6-4-3-5-7-15/h8-12,15,27H,3-7H2,1-2H3/b18-11-,27-21-InChIKey
KAWILZJASSUMCQ-PODBRPKXSA-NSynonyms
(6Z)6((1(3chloro4fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)2cyclohexyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro4fluorophenyl)25dimethyl1Hpyrrol3yl)methylene)2cyclohexyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD24857911
ZINC000041076346
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