Vitas-M small molecule compound

(2,5-dimethylpiperazine-1,4-diyl)bis{[2-(3,4-dimethylphenyl)quinolin-4-yl]methanone}

Catalog ID
STK435567
SMILES CC1CN(C(CN1C(=O)c1cc(nc2c1cccc2)c1ccc(c(c1)C)C)C)C(=O)c1cc(nc2c1cccc2)c1ccc(c(c1)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 C42H40N4O2 MW 632.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H40N4O2/c1-25-15-17-31(19-27(25)3)39-21-35(33-11-7-9-13-37(33)43-39)41(47)45-23-30(6)46(24-29(45)5)42(48)36-22-40(32-18-16-26(2)28(4)20-32)44-38-14-10-8-12-34(36)38/h7-22,29-30H,23-24H2,1-6H3
InChIKey
MPCUEMLCUFYKPE-UHFFFAOYSA-N
Synonyms

(25dimethylpiperazine14diyl)bis((2(34dimethylphenyl)quinolin4yl)methanone)
(4(2(34DIMETHYLPHENYL)QUINOLINE4CARBONYL)25DIMETHYLPIPERAZIN1YL)(2(34DIMETHYLPHENYL)QUINOLIN4YL)METHANONE
2(34DIMETHYLPHENYL)(4QUINOLYL)4((2(34DIMETHYLPHENYL)(4QUINOLYL))CARBONYL)25DIMETHYLPIPERAZINYLKETONE
2(34DIMETHYLPHENYL)4((4((2(34DIMETHYLPHENYL)4QUINOLINYL)CARBONYL)25DIMETHYL1PIPERAZINYL)CARBONYL)QUINOLINE
CC1CN(C(CN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)C)C)C)C(=O)C5=CC(=NC6=CC=CC=C65)C7=CC(=C(C=C7)C)C
InChI=1SC42H40N4O2c125151731(1927(25)3)392135(3311791337(33)4339)41(47)452330(6)46(2429(45)5)42(48)362240(32181626(2)28(4)2032)4438141081234(36)38h7222930H2324H216H3
MFCD03400181
ZINC000008432682
ZINC000008432685

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Available files

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