Vitas-M small molecule compound

N-[4-(benzylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]-4'-octylbiphenyl-4-carboxamide

Catalog ID
STK099405
SMILES CCCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)NCc1ccccc1

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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 C42H40N2O3 MW 620.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H40N2O3/c1-2-3-4-5-6-8-13-29-18-20-31(21-19-29)32-22-24-33(25-23-32)42(47)44-37-27-26-36(43-28-30-14-9-7-10-15-30)38-39(37)41(46)35-17-12-11-16-34(35)40(38)45/h7,9-12,14-27,43H,2-6,8,13,28H2,1H3,(H,44,47)
InChIKey
SDIZFROXJBKVRC-UHFFFAOYSA-N
Synonyms

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=C4C(=C(C=C3)NCC5=CC=CC=C5)C(=O)C6=CC=CC=C6C4=O
CCCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)NCc1ccccc1
InChI=1SC42H40N2O3c12345681329182031(211929)32222433(252332)42(47)4437272636(4328301497101530)3839(37)41(46)351712111634(35)40(38)45h7912142743H2681328H21H3(H4447)
MFCD00601764
N(4(benzylamino)910dioxo910dihydroanthracen1yl)4octyl(11biphenyl)4carboxamide
N(4(BENZYLAMINO)910DIOXO910DIHYDROANTHRACEN1YL)4OCTYLBIPHENYL4CARBOXAMIDE
N(4(BENZYLAMINO)910DIOXOANTHRACEN1YL)4(4OCTYLPHENYL)BENZAMIDE
STK099405
ZINC000097996953
ZINC97996953

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Available files

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