Vitas-M small molecule compound
(6E)-6-{[1-(3-chloro-4-methylphenyl)-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
STL235113
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C\c1cc(n(c1C)c1ccc(c(c1)Cl)C)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 C24H19ClN6OS MW 474.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19ClN6OS/c1-13-6-7-18(11-20(13)25)30-14(2)9-17(15(30)3)10-19-21(26)31-24(28-22(19)32)33-23(29-31)16-5-4-8-27-12-16/h4-12,26H,1-3H3/b19-10+,26-21-InChIKey
CPBJFOJDZHSBBO-HCYCJXAZSA-NSynonyms
844832-67-3(6E)6((1(3chloro4methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro4methylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
844832673
MFCD04163514
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1ccc(c(c1)Cl)C)C)c1cccnc1
ZINC000009280910
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