Vitas-M small molecule compound

1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK781411
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cccs1)C(=O)CC(C2)(C)C)c1ccc(c(c1)Cl)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 C26H21ClFN3OS MW 477.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClFN3OS/c1-26(2)13-20-24(21(32)14-26)23(22-6-5-11-33-22)17(15-29)25(30-9-3-4-10-30)31(20)16-7-8-19(28)18(27)12-16/h3-12,23H,13-14H2,1-2H3
InChIKey
UHIZZOSSHWMFHT-UHFFFAOYSA-N
Synonyms

1(3chloro4fluorophenyl)77dimethyl5oxo2(1Hpyrrol1yl)4(thiophen2yl)145678hexahydroquinoline3carbonitrile
1(3CHLORO4FLUOROPHENYL)77DIMETHYL5OXO2PYRROL1YL4THIOPHEN2YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC(=C(C=C3)F)Cl)N4C=CC=C4)C#N)C5=CC=CS5)C(=O)C1)C
InChI=1SC26H21ClFN3OSc126(2)132024(21(32)1426)23(2265113322)17(1529)25(309341030)31(20)167819(28)18(27)1216h31223H1314H212H3
MFCD06015023
ZINC000012402298
ZINC000012402299

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Available files

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