Vitas-M small molecule compound
(6Z)-2-benzyl-6-{[1-(3-chloro-4-methylphenyl)-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
STL224874
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cc(n(c1C)c1ccc(c(c1)Cl)C)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 C26H22ClN5OS MW 488.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN5OS/c1-15-9-10-20(14-22(15)27)31-16(2)11-19(17(31)3)13-21-24(28)32-26(29-25(21)33)34-23(30-32)12-18-7-5-4-6-8-18/h4-11,13-14,28H,12H2,1-3H3/b21-13-,28-24-InChIKey
VAAWVHYKCAPJTB-BSAKSWINSA-NSynonyms
(6Z)2benzyl6((1(3chloro4methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2benzyl6((1(3chloro4methylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD24857931
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1ccc(c(c1)Cl)C)C)Cc1ccccc1
ZINC000036589979
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