Vitas-M small molecule compound
(6E)-6-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-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
STL145954
SMILES CCSc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3c(C)cccc3C)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 C22H23N5OS2 MW 437.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5OS2/c1-6-29-22-25-27-19(23)17(20(28)24-21(27)30-22)11-16-10-14(4)26(15(16)5)18-12(2)8-7-9-13(18)3/h7-11,23H,6H2,1-5H3/b17-11+,23-19-InChIKey
ILGYAUINCPKOAV-YSCUVDCZSA-NSynonyms
848987-90-6(6E)6((1(26dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)2(ethylsulfanyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(26dimethylphenyl)25dimethyl1Hpyrrol3yl)methylene)2(ethylthio)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848987906
CCSc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3c(C)cccc3C)C)C2=N)s1
MFCD05678652
ZINC000009233484
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