Vitas-M small molecule compound
(6E)-6-({1-[4-(butan-2-yl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-5-imino-2-(methylsulfanyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224530
SMILES CCC(c1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)SC)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 C23H25N5OS2 MW 451.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5OS2/c1-6-13(2)16-7-9-18(10-8-16)27-14(3)11-17(15(27)4)12-19-20(24)28-22(25-21(19)29)31-23(26-28)30-5/h7-13,24H,6H2,1-5H3/b19-12+,24-20-InChIKey
GNKZONCODQCWNN-FRRHJBMWSA-NSynonyms
848868-64-4(6E)6((1(4(butan2yl)phenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(methylsulfanyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(4(secbutyl)phenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(methylthio)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848868644
CCC(c1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)SC)C
MFCD04197383
ZINC000009210464
ZINC000009210465
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