Vitas-M small molecule compound
(6Z)-2-benzyl-6-{[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224904
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cc(n(c1C)c1ccc(c(c1)Cl)F)C)Cc1ccccc1
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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/c1-14-10-17(15(2)31(14)18-8-9-21(27)20(26)13-18)12-19-23(28)32-25(29-24(19)33)34-22(30-32)11-16-6-4-3-5-7-16/h3-10,12-13,28H,11H2,1-2H3/b19-12-,28-23-InChIKey
KMICXPZZWRMDHK-URYGXRHHSA-NSynonyms
(6Z)2benzyl6((1(3chloro4fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2benzyl6((1(3chloro4fluorophenyl)25dimethyl1Hpyrrol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD24857948
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1ccc(c(c1)Cl)F)C)Cc1ccccc1
ZINC000033851073
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