Vitas-M small molecule compound
(6Z)-2-cyclohexyl-6-{[1-(2,3-dimethylphenyl)-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
STL224607
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cc(n(c1C)c1cccc(c1C)C)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 C26H29N5OS MW 459.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5OS/c1-15-9-8-12-22(17(15)3)30-16(2)13-20(18(30)4)14-21-23(27)31-26(28-24(21)32)33-25(29-31)19-10-6-5-7-11-19/h8-9,12-14,19,27H,5-7,10-11H2,1-4H3/b21-14-,27-23-InChIKey
UQJDVUNWLNPBIJ-XYKRTHMNSA-NSynonyms
(6Z)2cyclohexyl6((1(23dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2cyclohexyl6((1(23dimethylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD24857825
ZINC000033860442
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