Vitas-M small molecule compound
2-amino-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK757440
SMILES N#CC1=C(N)N(C2=C(C1c1cccs1)C(=O)CC(C2)(C)C)c1ccc(cc1)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 C22H20FN3OS MW 393.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FN3OS/c1-22(2)10-16-20(17(27)11-22)19(18-4-3-9-28-18)15(12-24)21(25)26(16)14-7-5-13(23)6-8-14/h3-9,19H,10-11,25H2,1-2H3InChIKey
NHBBFKXHVAUENX-UHFFFAOYSA-NSynonyms
2amino1(4fluorophenyl)77dimethyl5oxo4(thiophen2yl)145678hexahydroquinoline3carbonitrile
2AMINO1(4FLUOROPHENYL)77DIMETHYL5OXO4THIOPHEN2YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)F)N)C#N)C4=CC=CS4)C(=O)C1)C
InChI=1SC22H20FN3OSc122(2)101620(17(27)1122)19(184392818)15(1224)21(25)26(16)147513(23)6814h3919H101125H212H3
MFCD01305924
ZINC000001059657
ZINC000001059659
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