Vitas-M small molecule compound
2-{2-amino-3-cyano-5-oxo-4-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-1(4H)-yl}-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carbonitrile
Catalog ID
STK686740
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(cc1)C(F)(F)F)C(=O)CCC2)c1sc2c(c1C#N)C1CCN2CC1
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H22F3N5OS MW 521.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22F3N5OS/c28-27(29,30)16-6-4-14(5-7-16)21-17(12-31)24(33)35(19-2-1-3-20(36)23(19)21)25-18(13-32)22-15-8-10-34(11-9-15)26(22)37-25/h4-7,15,21H,1-3,8-11,33H2InChIKey
RVWBUQXHNXEMLO-UHFFFAOYSA-NSynonyms
2(2amino3cyano5oxo4(4(trifluoromethyl)phenyl)5678tetrahydroquinolin1(4H)yl)56dihydro4H47ethanothieno(23b)pyridine3carbonitrile
C1CC2=C(C(C(=C(N2C3=C(C4=C(S3)N5CCC4CC5)C#N)N)C#N)C6=CC=C(C=C6)C(F)(F)F)C(=O)C1
InChI=1SC27H22F3N5OSc2827(2930)166414(5716)2117(1231)24(33)35(1921320(36)23(19)21)2518(1332)221581034(11915)26(22)3725h471521H1381133H2
MFCD06017371
ZINC000014944682
ZINC000014944683
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