Vitas-M small molecule compound
methyl {[3-cyano-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate
Catalog ID
STL005145
SMILES COC(=O)CSc1nc(cc(c1C#N)C(F)(F)F)C12CC3CC(C2)CC(C1)C3
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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 C20H21F3N2O2S MW 410.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21F3N2O2S/c1-27-17(26)10-28-18-14(9-24)15(20(21,22)23)5-16(25-18)19-6-11-2-12(7-19)4-13(3-11)8-19/h5,11-13H,2-4,6-8,10H2,1H3InChIKey
BERNRSITXVCANU-UHFFFAOYSA-NSynonyms
489463-13-0489463130
COC(=O)CSC1=C(C(=CC(=N1)C23CC4CC(C2)CC(C4)C3)C(F)(F)F)C#N
InChI=1SC20H21F3N2O2Sc12717(26)10281814(924)15(20(2122)23)516(2518)19611212(719)413(311)819h51113H246810H21H3
methyl((3cyano6(tricyclo(3311~37~)dec1yl)4(trifluoromethyl)pyridin2yl)sulfanyl)acetate
METHYL((6(1ADAMANTYL)3CYANO4(TRIFLUOROMETHYL)PYRIDIN2YL)SULFANYL)ACETATE
methyl2((6((3r5r7r)adamantan1yl)3cyano4(trifluoromethyl)pyridin2yl)thio)acetate
METHYL2((6(1ADAMANTYL)3CYANO4(TRIFLUOROMETHYL)2PYRIDINYL)SULFANYL)ACETATE
METHYL2(6(1ADAMANTYL)3CYANO4(TRIFLUOROMETHYL)PYRIDIN2YL)SULFANYLACETATE
ZINC000004620221
ZINC04620221
ZINC4620221
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