Vitas-M small molecule compound
4-(5-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK781188
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1ccc(s1)C)C(=O)CCC2)c1ccccc1C(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/c1-16-11-12-22(34-16)23-17(15-30)25(31-13-4-5-14-31)32(20-9-6-10-21(33)24(20)23)19-8-3-2-7-18(19)26(27,28)29/h2-5,7-8,11-14,23H,6,9-10H2,1H3InChIKey
JNPBANCINSWYQW-UHFFFAOYSA-NSynonyms
4(5methylthiophen2yl)5oxo2(1Hpyrrol1yl)1(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
4(5methylthiophen2yl)5oxo2pyrrol1yl1(2(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
CC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4C(F)(F)F)N5C=CC=C5)C#N
InChI=1SC26H20F3N3OSc116111222(3416)2317(1530)25(3113451431)32(20961021(33)24(20)23)19832718(19)26(2728)29h2578111423H6910H21H3
MFCD06014466
ZINC000001432927
ZINC000001432928
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