Vitas-M small molecule compound
(6E)-6-{[1-(2-ethoxyphenyl)-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
STL224553
SMILES CCOc1ccccc1n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)SCC
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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 C22H23N5O2S2 MW 453.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O2S2/c1-5-29-18-10-8-7-9-17(18)26-13(3)11-15(14(26)4)12-16-19(23)27-21(24-20(16)28)31-22(25-27)30-6-2/h7-12,23H,5-6H2,1-4H3/b16-12+,23-19-InChIKey
JBJCTNGFFZUTKO-VQYBVHPRSA-NSynonyms
850158-55-3(6E)6((1(2ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)2(ethylsulfanyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(2ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)2(ethylthio)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
850158553
CCOc1ccccc1n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)SCC
MFCD05689915
ZINC000009309695
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