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N-{(Z)-[(2-bromophenyl)amino][(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanamide

Catalog ID
STK136647
SMILES Cc1cc(C)nc(n1)N/C(=N\C(=O)C(N1C(=O)C2C(C1=O)CCCC2)Cc1ccccc1)/Nc1ccccc1Br

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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 C30H31BrN6O3 MW 603.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31BrN6O3/c1-18-16-19(2)33-29(32-18)36-30(34-24-15-9-8-14-23(24)31)35-26(38)25(17-20-10-4-3-5-11-20)37-27(39)21-12-6-7-13-22(21)28(37)40/h3-5,8-11,14-16,21-22,25H,6-7,12-13,17H2,1-2H3,(H2,32,33,34,35,36,38)
InChIKey
UDQDCWSOHJKMCJ-UHFFFAOYSA-N
Synonyms
1031266-38-2
(Z)N(((2bromophenyl)amino)((46dimethylpyrimidin2yl)amino)methylene)2(13dioxohexahydro1Hisoindol2(3H)yl)3phenylpropanamide
CC1=CC(=NC(=N1)NC(=NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4CCCCC4C3=O)NC5=CC=CC=C5Br)C
Cc1cc(C)nc(n1)NC(=NC(=O)C(N1C(=O)C2C(C1=O)CCCC2)Cc1ccccc1)Nc1ccccc1Br
InChI=1SC30H31BrN6O3c1181619(2)3329(3218)3630(342415981423(24)31)3526(38)25(1720104351120)3727(39)2112671322(21)28(37)40h358111416212225H67121317H212H3(H2323334353638)
MFCD04522473
N((2bromoanilino)((46dimethylpyrimidin2yl)amino)methylidene)2(13dioxo3a45677ahexahydroisoindol2yl)3phenylpropanamide
N((Z)((2BROMOPHENYL)AMINO)((46DIMETHYLPYRIMIDIN2YL)AMINO)METHYLIDENE)2(13DIOXOOCTAHYDRO2HISOINDOL2YL)3PHENYLPROPANAMIDE
N(N(2BROMOPHENYL)N(46DIMETHYLPYRIMIDIN2YL)CARBAMIMIDOYL)2(13DIOXOOCTAHYDRO2HISOINDOL2YL)3PHENYLPROPANAMIDE
ZINC000097965339

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Available files

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