Vitas-M small molecule compound
2-amino-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK758383
SMILES N#CC1=C(N)N(c2cccc(c2)C(F)(F)F)C2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CC(C2)(C)C
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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 C28H28F3N3O4 MW 527.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28F3N3O4/c1-27(2)12-19-24(20(35)13-27)23(15-9-21(36-3)25(38-5)22(10-15)37-4)18(14-32)26(33)34(19)17-8-6-7-16(11-17)28(29,30)31/h6-11,23H,12-13,33H2,1-5H3InChIKey
DFELELAHSPMMEV-UHFFFAOYSA-NSynonyms
2amino77dimethyl5oxo1(3(trifluoromethyl)phenyl)4(345trimethoxyphenyl)145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL5OXO1(3(TRIFLUOROMETHYL)PHENYL)4(345TRIMETHOXYPHENYL)68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N)C#N)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)C1)C
InChI=1SC28H28F3N3O4c127(2)121924(20(35)1327)23(15921(363)25(385)22(1015)374)18(1432)26(33)34(19)1786716(1117)28(2930)31h61123H121333H215H3
MFCD02109991
ZINC000000706184
ZINC000000706185
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