Vitas-M small molecule compound
(6E)-6-{[1-(3-chloro-2-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
STL145998
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C\c1cc(n(c1C)c1cccc(c1C)Cl)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/c1-13-11-16(15(3)31(13)21-10-6-8-19(26)14(21)2)12-18-22(28)32-25(29-23(18)33)34-24(30-32)17-7-4-5-9-20(17)27/h4-12,28H,1-3H3/b18-12+,28-22-InChIKey
WGHROBPGZHWMEC-DUMUIHLOSA-NSynonyms
844825-53-2(6E)6((1(3chloro2methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)2(2fluorophenyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro2methylphenyl)25dimethyl1Hpyrrol3yl)methylene)2(2fluorophenyl)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
844825532
MFCD04160886
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1cccc(c1C)Cl)C)c1ccccc1F
ZINC000009193184
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