Vitas-M small molecule compound
2-amino-1-(4-bromo-2-fluorophenyl)-4-(3-hydroxy-4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK761192
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)O)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 C25H23BrFN3O3 MW 512.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrFN3O3/c1-25(2)10-18-23(20(32)11-25)22(13-4-7-21(33-3)19(31)8-13)15(12-28)24(29)30(18)17-6-5-14(26)9-16(17)27/h4-9,22,31H,10-11,29H2,1-3H3InChIKey
WKVNXQWJESOJLP-UHFFFAOYSA-NSynonyms
2amino1(4bromo2fluorophenyl)4(3hydroxy4methoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(4BROMO2FLUOROPHENYL)4(3HYDROXY4METHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=C(C=C(C=C3)Br)F)N)C#N)C4=CC(=C(C=C4)OC)O)C(=O)C1)C
InChI=1SC25H23BrFN3O3c125(2)101823(20(32)1125)22(134721(333)19(31)813)15(1228)24(29)30(18)176514(26)916(17)27h492231H101129H213H3
MFCD01820748
ZINC000001065016
ZINC000001065019
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