Vitas-M small molecule compound
(6Z)-3-(benzylsulfanyl)-6-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Catalog ID
STL254067
SMILES Cc1ccc(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 C26H23N5OS2 MW 485.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5OS2/c1-16-9-11-21(12-10-16)30-17(2)13-20(18(30)3)14-22-23(27)31-25(28-24(22)32)34-29-26(31)33-15-19-7-5-4-6-8-19/h4-14,27H,15H2,1-3H3/b22-14-,27-23-InChIKey
QAVMEHWQENVZRD-WSAMZLRMSA-NSynonyms
(6Z)3(benzylsulfanyl)6((25dimethyl1(4methylphenyl)1Hpyrrol3yl)methylidene)5imino56dihydro7H(124)thiadiazolo(45a)pyrimidin7one
(E)3(benzylthio)6((25dimethyl1(ptolyl)1Hpyrrol3yl)methylene)5imino5H(124)thiadiazolo(45a)pyrimidin7(6H)one
Cc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)c(SCc1ccccc1)ns2
MFCD03260701
ZINC000041108266
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