Vitas-M small molecule compound
(6E)-6-{[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-(2-fluorophenyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL145997
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C\c1cc(n(c1C)c1ccc(c(c1)Cl)C)C)c1ccccc1F
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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 C25H19ClFN5OS MW 491.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19ClFN5OS/c1-13-8-9-17(12-20(13)26)31-14(2)10-16(15(31)3)11-19-22(28)32-25(29-23(19)33)34-24(30-32)18-6-4-5-7-21(18)27/h4-12,28H,1-3H3/b19-11+,28-22-InChIKey
FNPVIDDWIMSBBD-PAYLYQGWSA-NSynonyms
850721-80-1(6E)6((1(3chloro4methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)2(2fluorophenyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro4methylphenyl)25dimethyl1Hpyrrol3yl)methylene)2(2fluorophenyl)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
850721801
MFCD05692641
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1ccc(c(c1)Cl)C)C)c1ccccc1F
ZINC000004641927
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