Vitas-M small molecule compound
2-amino-4-(5-bromo-2-methoxyphenyl)-7,7-dimethyl-5-oxo-1-(phenylamino)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL416511
SMILES N#CC1=C(N)N(Nc2ccccc2)C2=C(C1c1cc(Br)ccc1OC)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 C25H25BrN4O2 MW 493.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25BrN4O2/c1-25(2)12-19-23(20(31)13-25)22(17-11-15(26)9-10-21(17)32-3)18(14-27)24(28)30(19)29-16-7-5-4-6-8-16/h4-11,22,29H,12-13,28H2,1-3H3InChIKey
AKDRLYSHMYQVEC-UHFFFAOYSA-NSynonyms
2amino1anilino4(5bromo2methoxyphenyl)77dimethyl5oxo68dihydro4Hquinoline3carbonitrile
2amino4(5bromo2methoxyphenyl)77dimethyl5oxo1(phenylamino)145678hexahydroquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2NC3=CC=CC=C3)N)C#N)C4=C(C=CC(=C4)Br)OC)C(=O)C1)C
InChI=1SC25H25BrN4O2c125(2)121923(20(31)1325)22(171115(26)91021(17)323)18(1427)24(28)30(19)29167546816h4112229H121328H213H3
MFCD06124633
ZINC000059226932
ZINC000059226933
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