Vitas-M small molecule compound
2-amino-7,7-dimethyl-5-oxo-4-[4-(prop-2-en-1-yloxy)phenyl]-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL171126
SMILES C=CCOc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1cccc(c1)C(F)(F)F)C#N
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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 C28H26F3N3O2 MW 493.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26F3N3O2/c1-4-12-36-20-10-8-17(9-11-20)24-21(16-32)26(33)34(19-7-5-6-18(13-19)28(29,30)31)22-14-27(2,3)15-23(35)25(22)24/h4-11,13,24H,1,12,14-15,33H2,2-3H3InChIKey
ZHLPORUFBYEESD-UHFFFAOYSA-NSynonyms
2amino77dimethyl5oxo4(4(prop2en1yloxy)phenyl)1(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL5OXO4(4PROP2ENOXYPHENYL)1(3(TRIFLUOROMETHYL)PHENYL)68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N)C#N)C4=CC=C(C=C4)OCC=C)C(=O)C1)C
InChI=1SC28H26F3N3O2c1412362010817(91120)2421(1632)26(33)34(1975618(1319)28(2930)31)221427(23)1523(35)25(22)24h4111324H112141533H223H3
MFCD01918880
ZINC000002387636
ZINC000002801509
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