Vitas-M small molecule compound
octyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate
Catalog ID
STL323802
SMILES CCCCCCCCOC(=O)CSc1nc2CCCCCCc2cc1C#N
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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 C22H32N2O2S MW 388.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32N2O2S/c1-2-3-4-5-8-11-14-26-21(25)17-27-22-19(16-23)15-18-12-9-6-7-10-13-20(18)24-22/h15H,2-14,17H2,1H3InChIKey
MKXMMVUJBCDLKY-UHFFFAOYSA-NSynonyms
370077-95-5370077955
CCCCCCCCOC(=O)CSC1=NC2=C(CCCCCC2)C=C1C#N
InChI=1SC22H32N2O2Sc12345811142621(25)17272219(1623)151812967101320(18)2422h15H21417H21H3
MFCD01090346
octyl((3cyano5678910hexahydrocycloocta(b)pyridin2yl)sulfanyl)acetate
octyl2((3cyano5678910hexahydrocycloocta(b)pyridin2yl)sulfanyl)acetate
octyl2((3cyano5678910hexahydrocycloocta(b)pyridin2yl)thio)acetate
ZINC000097949567
ZINC97949567
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