Vitas-M small molecule compound
2-amino-1-(4-bromo-2-fluorophenyl)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK675764
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)(C)C)c1ccc(cc1F)Br
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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 C26H25BrFN3O3 MW 526.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrFN3O3/c1-26(2)11-19-24(20(32)12-26)23(14-5-8-21(33-3)22(9-14)34-4)16(13-29)25(30)31(19)18-7-6-15(27)10-17(18)28/h5-10,23H,11-12,30H2,1-4H3InChIKey
HSGWLTRQGUVUQN-UHFFFAOYSA-NSynonyms
2amino1(4bromo2fluorophenyl)4(34dimethoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(4BROMO2FLUOROPHENYL)4(34DIMETHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=C(C=C(C=C3)Br)F)N)C#N)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C
InChI=1SC26H25BrFN3O3c126(2)111924(20(32)1226)23(145821(333)22(914)344)16(1329)25(30)31(19)187615(27)1017(18)28h51023H111230H214H3
MFCD01820480
ZINC000001064837
ZINC000001064839
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