Vitas-M small molecule compound
benzyl [(3-cyano-4-ethyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate
Catalog ID
STL112881
SMILES N#Cc1c(SCC(=O)OCc2ccccc2)nc2c(c1CC)CCCCCC2
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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 C23H26N2O2S MW 394.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O2S/c1-2-18-19-12-8-3-4-9-13-21(19)25-23(20(18)14-24)28-16-22(26)27-15-17-10-6-5-7-11-17/h5-7,10-11H,2-4,8-9,12-13,15-16H2,1H3InChIKey
LQBGSZWYVPWCLA-UHFFFAOYSA-NSynonyms
benzyl((3cyano4ethyl5678910hexahydrocycloocta(b)pyridin2yl)sulfanyl)acetate
benzyl2((3cyano4ethyl5678910hexahydrocycloocta(b)pyridin2yl)sulfanyl)acetate
CCC1=C(C(=NC2=C1CCCCCC2)SCC(=O)OCC3=CC=CC=C3)C#N
InChI=1SC23H26N2O2Sc1218191283491321(19)2523(20(18)1424)281622(26)271517106571117h571011H248912131516H21H3
MFCD02722942
ZINC000004543795
ZINC04543795
ZINC4543795
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