Vitas-M small molecule compound
(6E)-6-{[1-(3-chloro-2-methylphenyl)-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
STL224477
SMILES CSc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cccc(c3C)Cl)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 C20H18ClN5OS2 MW 443.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN5OS2/c1-10-8-13(12(3)25(10)16-7-5-6-15(21)11(16)2)9-14-17(22)26-19(23-18(14)27)29-20(24-26)28-4/h5-9,22H,1-4H3/b14-9+,22-17-InChIKey
STPMYQSBFKMZBD-BROCWHMHSA-NSynonyms
846066-26-0(6E)6((1(3chloro2methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(methylsulfanyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro2methylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(methylthio)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
846066260
CSc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cccc(c3C)Cl)C)C2=N)s1
MFCD04174173
ZINC000009282679
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