Vitas-M small molecule compound
7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK780713
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cccnc1)C(=O)CC(C2)(C)C)c1cccc(c1)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 C28H23F3N4O MW 488.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23F3N4O/c1-27(2)14-22-25(23(36)15-27)24(18-7-6-10-33-17-18)21(16-32)26(34-11-3-4-12-34)35(22)20-9-5-8-19(13-20)28(29,30)31/h3-13,17,24H,14-15H2,1-2H3InChIKey
KKNWXZAUTNWRMU-UHFFFAOYSA-NSynonyms
77dimethyl5oxo4(pyridin3yl)2(1Hpyrrol1yl)1(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
77DIMETHYL5OXO4PYRIDIN3YL2PYRROL1YL1(3(TRIFLUOROMETHYL)PHENYL)68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N4C=CC=C4)C#N)C5=CN=CC=C5)C(=O)C1)C
InChI=1SC28H23F3N4Oc127(2)142225(23(36)1527)24(187610331718)21(1632)26(3411341234)35(22)2095819(1320)28(2930)31h3131724H1415H212H3
MFCD06013546
ZINC000001431999
ZINC000001432000
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