Vitas-M small molecule compound
(6E)-6-{[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL232435
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C\c1cc(n(c1C)c1ccc(c(c1)Cl)F)C)c1cccnc1
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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 C23H16ClFN6OS MW 478.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16ClFN6OS/c1-12-8-15(13(2)30(12)16-5-6-19(25)18(24)10-16)9-17-20(26)31-23(28-21(17)32)33-22(29-31)14-4-3-7-27-11-14/h3-11,26H,1-2H3/b17-9+,26-20-InChIKey
AWCNJQAZHSYJCB-XOKDJILNSA-NSynonyms
849007-99-4(6E)6((1(3chloro4fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro4fluorophenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
849007994
MFCD05680420
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1ccc(c(c1)Cl)F)C)c1cccnc1
ZINC000009235726
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