Vitas-M small molecule compound

N,N'-(benzene-1,4-diyldiprop-1-yne-1,3-diyl)bis[N-(2-chlorobenzyl)pentan-1-amine]

Catalog ID
STK536641
SMILES CCCCCN(Cc1ccccc1Cl)CC#Cc1ccc(cc1)C#CCN(Cc1ccccc1Cl)CCCCC

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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 C36H42Cl2N2 MW 573.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H42Cl2N2/c1-3-5-11-25-39(29-33-17-7-9-19-35(33)37)27-13-15-31-21-23-32(24-22-31)16-14-28-40(26-12-6-4-2)30-34-18-8-10-20-36(34)38/h7-10,17-24H,3-6,11-12,25-30H2,1-2H3
InChIKey
DVIMWMBRVGJLFF-UHFFFAOYSA-N
Synonyms

CCCCCN(CC#CC1=CC=C(C=C1)C#CCN(CCCCC)CC2=CC=CC=C2Cl)CC3=CC=CC=C3Cl
CCCCCN(Cc1ccccc1Cl)CC#Cc1ccc(cc1)C#CCN(Cc1ccccc1Cl)CCCCCClCl
InChI=1SC36H42Cl2N2c135112539(293317791935(33)37)27131531212332(242231)16142840(2612642)3034188102036(34)38h7101724H3611122530H212H3
MFCD01859080
N((2CHLOROPHENYL)METHYL)N(3(4(3((2CHLOROPHENYL)METHYLPENTYLAMINO)PROP1YNYL)PHENYL)PROP2YNYL)PENTAN1AMINE
NN(14phenylenebis(prop2yne31diyl))bis(N(2chlorobenzyl)pentan1amine)dihydrochloride
NN(benzene14diyldiprop1yne13diyl)bis(N(2chlorobenzyl)pentan1amine)
ZINC000102613375
ZINC102613375

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Available files

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