Vitas-M small molecule compound
(6E)-6-({2,5-dimethyl-1-[4-(propan-2-yl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-(ethylsulfanyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224531
SMILES CCSc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(cc3)C(C)C)C)/C2=N)s1
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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/c1-6-30-23-26-28-20(24)19(21(29)25-22(28)31-23)12-17-11-14(4)27(15(17)5)18-9-7-16(8-10-18)13(2)3/h7-13,24H,6H2,1-5H3/b19-12+,24-20-InChIKey
AEGNYQSJLKYAIW-FRRHJBMWSA-NSynonyms
847380-16-9(6E)6((25dimethyl1(4(propan2yl)phenyl)1Hpyrrol3yl)methylidene)2(ethylsulfanyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2(ethylthio)5imino6((1(4isopropylphenyl)25dimethyl1Hpyrrol3yl)methylene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
847380169
CCSc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccc(cc3)C(C)C)C)C2=N)s1
MFCD04181749
ZINC000009159141
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