Vitas-M small molecule compound
(6Z)-3-(benzylsulfanyl)-6-{[1-(4-chlorophenyl)-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
STK387879
SMILES Clc1ccc(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 C25H20ClN5OS2 MW 506.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN5OS2/c1-15-12-18(16(2)30(15)20-10-8-19(26)9-11-20)13-21-22(27)31-24(28-23(21)32)34-29-25(31)33-14-17-6-4-3-5-7-17/h3-13,27H,14H2,1-2H3/b21-13-,27-22-InChIKey
DAGDJHAFAUPVDL-LWCOZLSFSA-NSynonyms
(6Z)3(benzylsulfanyl)6((1(4chlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino56dihydro7H(124)thiadiazolo(45a)pyrimidin7one
(E)3(benzylthio)6((1(4chlorophenyl)25dimethyl1Hpyrrol3yl)methylene)5imino5H(124)thiadiazolo(45a)pyrimidin7(6H)one
Clc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)c(SCc1ccccc1)ns2
MFCD03261222
ZINC000004788607
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