Vitas-M small molecule compound
(6Z)-3-(benzylsulfanyl)-5-imino-6-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Catalog ID
STK727581
SMILES COc1ccccc1n1c(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 C26H23N5O2S2 MW 501.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O2S2/c1-16-13-19(17(2)30(16)21-11-7-8-12-22(21)33-3)14-20-23(27)31-25(28-24(20)32)35-29-26(31)34-15-18-9-5-4-6-10-18/h4-14,27H,15H2,1-3H3/b20-14-,27-23-InChIKey
GEYQOFCGVNSISI-XCAZPQICSA-NSynonyms
(6Z)3(benzylsulfanyl)5imino6((1(2methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)56dihydro7H(124)thiadiazolo(45a)pyrimidin7one
(E)3(benzylthio)5imino6((1(2methoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5H(124)thiadiazolo(45a)pyrimidin7(6H)one
COc1ccccc1n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)c(SCc1ccccc1)ns2
MFCD03262591
ZINC000015227595
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