Vitas-M small molecule compound
(6E)-6-{[1-(3-chloro-4-fluorophenyl)-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
STL224930
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C\c1cc(n(c1C)c1ccc(c(c1)Cl)F)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 C24H16ClF2N5OS MW 495.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16ClF2N5OS/c1-12-9-14(13(2)31(12)15-7-8-20(27)18(25)11-15)10-17-21(28)32-24(29-22(17)33)34-23(30-32)16-5-3-4-6-19(16)26/h3-11,28H,1-2H3/b17-10+,28-21-InChIKey
FDASYKCMZLVESH-XTKBEKJASA-NSynonyms
848995-01-7(6E)6((1(3chloro4fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)2(2fluorophenyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro4fluorophenyl)25dimethyl1Hpyrrol3yl)methylene)2(2fluorophenyl)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848995017
MFCD05679359
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1ccc(c(c1)Cl)F)C)c1ccccc1F
ZINC000009234315
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