Vitas-M small molecule compound
(6Z)-3-(benzylsulfanyl)-6-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Catalog ID
STL146003
SMILES CCc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)N=c2n(C1=N)c(SCc1ccccc1)ns2
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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 C27H25N5OS2 MW 499.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5OS2/c1-4-19-10-12-22(13-11-19)31-17(2)14-21(18(31)3)15-23-24(28)32-26(29-25(23)33)35-30-27(32)34-16-20-8-6-5-7-9-20/h5-15,28H,4,16H2,1-3H3/b23-15-,28-24-InChIKey
WBNVGEHJAJEDAT-IQGIQZAKSA-NSynonyms
(6Z)3(benzylsulfanyl)6((1(4ethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino56dihydro7H(124)thiadiazolo(45a)pyrimidin7one
(E)3(benzylthio)6((1(4ethylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino5H(124)thiadiazolo(45a)pyrimidin7(6H)one
CCc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)c(SCc1ccccc1)ns2
MFCD20731941
ZINC000033749629
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