Vitas-M small molecule compound

N,N'-(piperazine-1,4-diyldipropane-3,1-diyl)bis[2-(2-methylphenyl)quinoline-4-carboxamide]

Catalog ID
STK427910
SMILES O=C(c1cc(nc2c1cccc2)c1ccccc1C)NCCCN1CCN(CC1)CCCNC(=O)c1cc(nc2c1cccc2)c1ccccc1C

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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 C44H46N6O2 MW 690.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H46N6O2/c1-31-13-3-5-15-33(31)41-29-37(35-17-7-9-19-39(35)47-41)43(51)45-21-11-23-49-25-27-50(28-26-49)24-12-22-46-44(52)38-30-42(34-16-6-4-14-32(34)2)48-40-20-10-8-18-36(38)40/h3-10,13-20,29-30H,11-12,21-28H2,1-2H3,(H,45,51)(H,46,52)
InChIKey
DTXUFKMQCWBZOR-UHFFFAOYSA-N
Synonyms

(2(2METHYLPHENYL)(4QUINOLYL))N(3(4(3((2(2METHYLPHENYL)(4QUINOLYL))CARBONYLAMINO)PROPYL)PIPERAZINYL)PROPYL)CARBOXAMIDE
2(2METHYLPHENYL)N(3(4(3((2(2METHYLPHENYL)QUINOLINE4CARBONYL)AMINO)PROPYL)PIPERAZIN1YL)PROPYL)QUINOLINE4CARBOXAMIDE
CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCN(CC4)CCCNC(=O)C5=CC(=NC6=CC=CC=C65)C7=CC=CC=C7C
InChI=1SC44H46N6O2c13113351533(31)412937(3517791939(35)4741)43(51)4521112349252750(282649)2412224644(52)383042(3416641432(34)2)4840201081836(38)40h31013202930H11122128H212H3(H4551)(H4652)
MFCD01835224
NN(piperazine14diyldipropane31diyl)bis(2(2methylphenyl)quinoline4carboxamide)
ZINC000097949254
ZINC97949254

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Available files

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