Vitas-M small molecule compound
(6Z)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224264
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cc(n(c1C)Cc1ccccc1)C)C(C)C
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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 C22H23N5OS MW 405.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5OS/c1-13(2)21-25-27-19(23)18(20(28)24-22(27)29-21)11-17-10-14(3)26(15(17)4)12-16-8-6-5-7-9-16/h5-11,13,23H,12H2,1-4H3/b18-11-,23-19-InChIKey
KGCYRXRMBQUZQA-RTOCQJOISA-NSynonyms
(6Z)6((1benzyl25dimethyl1Hpyrrol3yl)methylidene)5imino2(propan2yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1benzyl25dimethyl1Hpyrrol3yl)methylene)5imino2isopropyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD24857706
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)Cc1ccccc1)C)C(C)C
ZINC000035212360
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