Vitas-M small molecule compound
2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK672954
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)(C)C)c1cc(ccc1Cl)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 C27H25ClF3N3O3 MW 531.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClF3N3O3/c1-26(2)11-19-24(20(35)12-26)23(14-5-8-21(36-3)22(9-14)37-4)16(13-32)25(33)34(19)18-10-15(27(29,30)31)6-7-17(18)28/h5-10,23H,11-12,33H2,1-4H3InChIKey
BTNMQVPOGUSRFN-UHFFFAOYSA-NSynonyms
2amino1(2chloro5(trifluoromethyl)phenyl)4(34dimethoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(2CHLORO5(TRIFLUOROMETHYL)PHENYL)4(34DIMETHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=C(C=CC(=C3)C(F)(F)F)Cl)N)C#N)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C
InChI=1SC27H25ClF3N3O3c126(2)111924(20(35)1226)23(145821(363)22(914)374)16(1332)25(33)34(19)181015(27(2930)31)6717(18)28h51023H111233H214H3
MFCD00827215
ZINC000003663108
ZINC000003663109
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