Vitas-M small molecule compound
(6E)-6-{[2,5-dimethyl-1-(naphthalen-2-yl)-1H-pyrrol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224202
SMILES O=C1N=c2scnn2C(=N)/C/1=C\c1cc(n(c1C)c1ccc2c(c1)cccc2)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 C22H17N5OS MW 399.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N5OS/c1-13-9-17(11-19-20(23)27-22(25-21(19)28)29-12-24-27)14(2)26(13)18-8-7-15-5-3-4-6-16(15)10-18/h3-12,23H,1-2H3/b19-11+,23-20-InChIKey
HOZBOKULBIBXQK-UWEPHRFBSA-NSynonyms
845901-15-7(6E)6((25dimethyl1(naphthalen2yl)1Hpyrrol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1(naphthalen2yl)1Hpyrrol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
845901157
MFCD04172947
O=C1N=c2scnn2C(=N)C1=Cc1cc(n(c1C)c1ccc2c(c1)cccc2)C
ZINC000002407975
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