Vitas-M small molecule compound

(6E)-6-{[1-(2-ethylphenyl)-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
STL224351
SMILES CCc1ccccc1n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)SC

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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 C21H21N5OS2 MW 423.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5OS2/c1-5-14-8-6-7-9-17(14)25-12(2)10-15(13(25)3)11-16-18(22)26-20(23-19(16)27)29-21(24-26)28-4/h6-11,22H,5H2,1-4H3/b16-11+,22-18-
InChIKey
AWPNGGJPAKQXSK-POQVLUGQSA-N
Synonyms
849009-80-9
(6E)6((1(2ethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(methylsulfanyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(2ethylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(methylthio)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
849009809
CCc1ccccc1n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)SC
MFCD05680516
ZINC000009235844

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Available files

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