Vitas-M small molecule compound

propan-2-yl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate

Catalog ID
STL333717
SMILES N#Cc1cc2CCCCCCc2nc1SCC(=O)OC(C)C

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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 C17H22N2O2S MW 318.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O2S/c1-12(2)21-16(20)11-22-17-14(10-18)9-13-7-5-3-4-6-8-15(13)19-17/h9,12H,3-8,11H2,1-2H3
InChIKey
QPAVAWYGTQWIBH-UHFFFAOYSA-N
Synonyms
445384-86-1
445384861
CC(C)OC(=O)CSC1=NC2=C(CCCCCC2)C=C1C#N
InChI=1SC17H22N2O2Sc112(2)2116(20)11221714(1018)91375346815(13)1917h912H3811H212H3
isopropyl2((3cyano5678910hexahydrocycloocta(b)pyridin2yl)thio)acetate
MFCD03234664
propan2yl((3cyano5678910hexahydrocycloocta(b)pyridin2yl)sulfanyl)acetate
propan2yl2((3cyano5678910hexahydrocycloocta(b)pyridin2yl)sulfanyl)acetate
ZINC000004869736
ZINC04869736
ZINC4869736

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.