Vitas-M small molecule compound

3,3'-(biphenyl-4,4'-diyldiimino)bis(2-butanoyl-5,5-dimethylcyclohex-2-en-1-one)

Catalog ID
STL051904
SMILES CCCC(=O)C1=C(Nc2ccc(cc2)c2ccc(cc2)NC2=C(C(=O)CCC)C(=O)CC(C2)(C)C)CC(CC1=O)(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 C36H44N2O4 MW 568.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H44N2O4/c1-7-9-29(39)33-27(19-35(3,4)21-31(33)41)37-25-15-11-23(12-16-25)24-13-17-26(18-14-24)38-28-20-36(5,6)22-32(42)34(28)30(40)10-8-2/h11-18,37-38H,7-10,19-22H2,1-6H3
InChIKey
XTPODKPRQNYEKO-UHFFFAOYSA-N
Synonyms

2BUTANOYL3(4(4((2BUTANOYL55DIMETHYL3OXOCYCLOHEXEN1YL)AMINO)PHENYL)ANILINO)55DIMETHYLCYCLOHEX2EN1ONE
2BUTYRYL3((4((2BUTYRYL55DIMETHYL3OXO1CYCLOHEXEN1YL)AMINO)(11BIPHENYL)4YL)AMINO)55DIMETHYL2CYCLOHEXEN1ONE
33((11biphenyl)44diylbis(azanediyl))bis(2butyryl55dimethylcyclohex2enone)
33(biphenyl44diyldiimino)bis(2butanoyl55dimethylcyclohex2en1one)
CCCC(=O)C1=C(CC(CC1=O)(C)C)NC2=CC=C(C=C2)C3=CC=C(C=C3)NC4=C(C(=O)CC(C4)(C)C)C(=O)CCC
InChI=1SC36H44N2O4c17929(39)3327(1935(34)2131(33)41)3725151123(121625)24131726(181424)38282036(56)2232(42)34(28)30(40)1082h11183738H7101922H216H3
MFCD00314005
ZINC000008425413
ZINC08425413
ZINC8425413

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.