Vitas-M small molecule compound
ethyl {[(7E)-3-cyano-4-(thiophen-2-yl)-7-(thiophen-2-ylmethylidene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate
Catalog ID
STK763791
SMILES CCOC(=O)CSc1nc2/C(=C/c3cccs3)/CCc2c(c1C#N)c1cccs1
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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 C22H18N2O2S3 MW 438.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O2S3/c1-2-26-19(25)13-29-22-17(12-23)20(18-6-4-10-28-18)16-8-7-14(21(16)24-22)11-15-5-3-9-27-15/h3-6,9-11H,2,7-8,13H2,1H3/b14-11+InChIKey
GRTOHCMYOMUHMP-SDNWHVSQSA-NSynonyms
CCOC(=O)CSC1=NC2=C(CCC2=CC3=CC=CS3)C(=C1C#N)C4=CC=CS4
CCOC(=O)CSc1nc2C(=Cc3cccs3)CCc2c(c1C#N)c1cccs1
ethyl(((7E)3cyano4(thiophen2yl)7(thiophen2ylmethylidene)67dihydro5Hcyclopenta(b)pyridin2yl)sulfanyl)acetate
ETHYL2(((7E)3CYANO4THIOPHEN2YL7(THIOPHEN2YLMETHYLIDENE)56DIHYDROCYCLOPENTA(B)PYRIDIN2YL)SULFANYL)ACETATE
InChI=1SC22H18N2O2S3c122619(25)13292217(1223)20(1864102818)168714(21(16)2422)11155392715h36911H27813H21H3b1411+
MFCD02647590
ZINC000008766649
ZINC08766649
ZINC8766649
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