Vitas-M small molecule compound
methyl {[3-cyano-4-(cyclohex-3-en-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate
Catalog ID
STK083564
SMILES COC(=O)CSc1nc2CCCc2c(c1C#N)C1CCC=CC1
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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 C18H20N2O2S MW 328.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O2S/c1-22-16(21)11-23-18-14(10-19)17(12-6-3-2-4-7-12)13-8-5-9-15(13)20-18/h2-3,12H,4-9,11H2,1H3InChIKey
KEFNCPLKMPVCML-UHFFFAOYSA-NSynonyms
313704-92-6(3CYANO4CYCLOHEX3ENYL67DIHYDRO5H(1)PYRINDIN2YLSULFANYL)ACETICACIDMETHYLESTER
313704926
COC(=O)CSC1=NC2=C(CCC2)C(=C1C#N)C3CCC=CC3
COC(=O)CSc1nc2CCCc2c(c1C#N)C1CCC=CC1
InChI=1SC18H20N2O2Sc12216(21)11231814(1019)17(126324712)1385915(13)2018h2312H4911H21H3
METHYL((3CYANO4(CYCLOHEX3EN1YL)67DIHYDRO5HCYCLOPENTA(B)PYRIDIN2YL)SULFANYL)ACETATE
METHYL2((3CYANO4CYCLOHEX3EN1YL67DIHYDRO5HCYCLOPENTA(B)PYRIDIN2YL)SULFANYL)ACETATE
MFCD02047833
STK083564
ZINC000000240134
ZINC000000240138
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