Vitas-M small molecule compound
4-(5-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK780910
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1ccc(s1)C)C(=O)CCC2)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 C26H20F3N3OS MW 479.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20F3N3OS/c1-16-7-12-22(34-16)23-19(15-30)25(31-13-2-3-14-31)32(20-5-4-6-21(33)24(20)23)18-10-8-17(9-11-18)26(27,28)29/h2-3,7-14,23H,4-6H2,1H3InChIKey
BONNHAKNKKADQU-UHFFFAOYSA-NSynonyms
4(5methylthiophen2yl)5oxo2(1Hpyrrol1yl)1(4(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
4(5methylthiophen2yl)5oxo2pyrrol1yl1(4(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
CC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)C(F)(F)F)N5C=CC=C5)C#N
InChI=1SC26H20F3N3OSc11671222(3416)2319(1530)25(3113231431)32(2054621(33)24(20)23)1810817(91118)26(2728)29h2371423H46H21H3
MFCD06014004
ZINC000001432371
ZINC000001432372
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