Vitas-M small molecule compound
(6Z)-6-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-5-imino-2-(2-methylpropyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224171
SMILES CC(Cc1nn2c(=NC(=O)/C(=C\c3cc(n(c3C)c3ccccc3)C)/C2=N)s1)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)10-19-25-27-20(23)18(21(28)24-22(27)29-19)12-16-11-14(3)26(15(16)4)17-8-6-5-7-9-17/h5-9,11-13,23H,10H2,1-4H3/b18-12-,23-20-InChIKey
LAQFRAVFAHPWSW-AWDJCAROSA-NSynonyms
(6Z)6((25dimethyl1phenyl1Hpyrrol3yl)methylidene)5imino2(2methylpropyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1phenyl1Hpyrrol3yl)methylene)5imino2isobutyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CC(Cc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccccc3)C)C2=N)s1)C
MFCD24857673
ZINC000041082957
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