Vitas-M small molecule compound
methyl (2E)-3-{[(Z)-cyano(6',7'-dimethyl-2'H-spiro[cyclohexane-1,3'-isoquinolin]-1'(4'H)-ylidene)methyl]sulfanyl}-3-fluoro-2-(trifluoromethyl)prop-2-enoate
Catalog ID
STK998122
SMILES N#C/C(=C\1/NC2(CCCCC2)Cc2c1cc(C)c(c2)C)/S/C(=C(/C(F)(F)F)\C(=O)OC)/F
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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 C23H24F4N2O2S MW 468.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24F4N2O2S/c1-13-9-15-11-22(7-5-4-6-8-22)29-19(16(15)10-14(13)2)17(12-28)32-20(24)18(21(30)31-3)23(25,26)27/h9-10,29H,4-8,11H2,1-3H3/b19-17-,20-18+InChIKey
KJEFTFOQOHTHAO-YAFCTCPESA-NSynonyms
799831-43-9(E)methyl3(((Z)cyano(67dimethyl24dihydro1Hspiro(cyclohexane13isoquinolin)1ylidene)methyl)thio)3fluoro2(trifluoromethyl)acrylate
799831439
CC1=C(C=C2C(=C1)CC3(CCCCC3)NC2=C(C#N)SC(=C(C(=O)OC)C(F)(F)F)F)C
InChI=1SC23H24F4N2O2Sc1139151122(7546822)2919(16(15)1014(13)2)17(1228)3220(24)18(21(30)313)23(2526)27h91029H4811H213H3b19172018+
methyl(2E)3(((Z)cyano(67dimethyl2Hspiro(cyclohexane13isoquinolin)1(4H)ylidene)methyl)sulfanyl)3fluoro2(trifluoromethyl)prop2enoate
METHYL(E)3((Z)CYANO(67DIMETHYLSPIRO(24DIHYDROISOQUINOLINE31CYCLOHEXANE)1YLIDENE)METHYL)SULFANYL3FLUORO2(TRIFLUOROMETHYL)PROP2ENOATE
MFCD03684326
N#CC(=C1NC2(CCCCC2)Cc2c1cc(C)c(c2)C)SC(=C(C(F)(F)F)C(=O)OC)F
ZINC000031911798
ZINC31911798
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.