Vitas-M small molecule compound
ethyl {[3-cyano-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate
Catalog ID
STK602460
SMILES CCOC(=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 C21H23F3N2O2S MW 424.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23F3N2O2S/c1-2-28-18(27)11-29-19-15(10-25)16(21(22,23)24)6-17(26-19)20-7-12-3-13(8-20)5-14(4-12)9-20/h6,12-14H,2-5,7-9,11H2,1H3InChIKey
MCIBCBVVHOTSLW-UHFFFAOYSA-NSynonyms
625369-71-3625369713
CCOC(=O)CSC1=C(C(=CC(=N1)C23CC4CC(C2)CC(C4)C3)C(F)(F)F)C#N
ethyl((3cyano6(tricyclo(3311~37~)dec1yl)4(trifluoromethyl)pyridin2yl)sulfanyl)acetate
ethyl2((6((3r5r7r)adamantan1yl)3cyano4(trifluoromethyl)pyridin2yl)thio)acetate
ETHYL2((6(1ADAMANTYL)3CYANO4(TRIFLUOROMETHYL)2PYRIDINYL)SULFANYL)ACETATE
ETHYL2(6(1ADAMANTYL)3CYANO4(TRIFLUOROMETHYL)PYRIDIN2YL)SULFANYLACETATE
InChI=1SC21H23F3N2O2Sc122818(27)11291915(1025)16(21(2223)24)617(2619)20712313(820)514(412)920h61214H257911H21H3
MFCD03697767
ZINC000008451082
ZINC08451082
ZINC8451082
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