Vitas-M small molecule compound
(6Z)-2-benzyl-6-{[1-(2,6-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
STL224677
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cc(n(c1C)c1c(C)cccc1C)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 C27H25N5OS MW 467.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5OS/c1-16-9-8-10-17(2)24(16)31-18(3)13-21(19(31)4)15-22-25(28)32-27(29-26(22)33)34-23(30-32)14-20-11-6-5-7-12-20/h5-13,15,28H,14H2,1-4H3/b22-15-,28-25-InChIKey
HZONMPUPGKLWOG-DZODVLAESA-NSynonyms
(6Z)2benzyl6((1(26dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2benzyl6((1(26dimethylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD24857855
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1c(C)cccc1C)C)Cc1ccccc1
ZINC000034258463
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