Vitas-M small molecule compound
propyl {[(7E)-7-benzylidene-3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate
Catalog ID
STL112899
SMILES CCCOC(=O)CSc1nc2/C(=C/c3ccccc3)/CCc2c(c1C#N)c1ccccc1
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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 C27H24N2O2S MW 440.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O2S/c1-2-15-31-24(30)18-32-27-23(17-28)25(20-11-7-4-8-12-20)22-14-13-21(26(22)29-27)16-19-9-5-3-6-10-19/h3-12,16H,2,13-15,18H2,1H3/b21-16+InChIKey
ACCFKNZQUIQRHI-LTGZKZEYSA-NSynonyms
(Z)propyl2((7benzylidene3cyano4phenyl67dihydro5Hcyclopenta(b)pyridin2yl)thio)acetate
CCCOC(=O)CSC1=NC2=C(CCC2=CC3=CC=CC=C3)C(=C1C#N)C4=CC=CC=C4
CCCOC(=O)CSc1nc2C(=Cc3ccccc3)CCc2c(c1C#N)c1ccccc1
InChI=1SC27H24N2O2Sc12153124(30)18322723(1728)25(20117481220)22141321(26(22)2927)161995361019h31216H2131518H21H3b2116+
MFCD03058638
propyl(((7E)7benzylidene3cyano4phenyl67dihydro5Hcyclopenta(b)pyridin2yl)sulfanyl)acetate
PROPYL2(((7E)7BENZYLIDENE3CYANO4PHENYL56DIHYDROCYCLOPENTA(B)PYRIDIN2YL)SULFANYL)ACETATE
ZINC000027490387
ZINC27490387
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