Vitas-M small molecule compound

2-{2,5-dioxo-4-[4-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Catalog ID
STK780207
SMILES N#Cc1c(sc2c1CCCC2)N1C(=O)CC(C2=C1CCCC2=O)c1ccc(cc1)C(F)(F)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 C25H21F3N2O2S MW 470.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21F3N2O2S/c26-25(27,28)15-10-8-14(9-11-15)17-12-22(32)30(19-5-3-6-20(31)23(17)19)24-18(13-29)16-4-1-2-7-21(16)33-24/h8-11,17H,1-7,12H2
InChIKey
LEZCYOJXGZLADW-UHFFFAOYSA-N
Synonyms

2(25dioxo4(4(trifluoromethyl)phenyl)345678hexahydroquinolin1(2H)yl)4567tetrahydro1benzothiophene3carbonitrile
2(25dioxo4(4(trifluoromethyl)phenyl)4678tetrahydro3Hquinolin1yl)4567tetrahydro1benzothiophene3carbonitrile
C1CCC2=C(C1)C(=C(S2)N3C4=C(C(CC3=O)C5=CC=C(C=C5)C(F)(F)F)C(=O)CCC4)C#N
InChI=1SC25H21F3N2O2Sc2625(2728)1510814(91115)171222(32)30(1953620(31)23(17)19)2418(1329)16412721(16)3324h81117H1712H2
MFCD05859985
ZINC000001430898
ZINC000001430899

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Available files

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