Vitas-M small molecule compound
(6Z)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-cyclohexyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224494
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cc(n(c1C)Cc1ccccc1)C)C1CCCCC1
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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 C25H27N5OS MW 445.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5OS/c1-16-13-20(17(2)29(16)15-18-9-5-3-6-10-18)14-21-22(26)30-25(27-23(21)31)32-24(28-30)19-11-7-4-8-12-19/h3,5-6,9-10,13-14,19,26H,4,7-8,11-12,15H2,1-2H3/b21-14-,26-22-InChIKey
FUZVLPXKNCYQGI-NLAALYTPSA-NSynonyms
(6Z)6((1benzyl25dimethyl1Hpyrrol3yl)methylidene)2cyclohexyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1benzyl25dimethyl1Hpyrrol3yl)methylene)2cyclohexyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD24857792
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)Cc1ccccc1)C)C1CCCCC1
ZINC000034256818
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