Vitas-M small molecule compound
1,1'-{2,5-bis[(4-butoxyphenyl)carbonyl]hexane-1,6-diyl}bis(1-methylazepanium)
Catalog ID
STL043238
SMILES CCCCOc1ccc(cc1)C(=O)C(C[N+]1(C)CCCCCC1)CCC(C(=O)c1ccc(cc1)OCCCC)C[N+]1(C)CCCCCC1
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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 C42H66N2O4 MW 663.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H66N2O4/c1-5-7-31-47-39-23-19-35(20-24-39)41(45)37(33-43(3)27-13-9-10-14-28-43)17-18-38(34-44(4)29-15-11-12-16-30-44)42(46)36-21-25-40(26-22-36)48-32-8-6-2/h19-26,37-38H,5-18,27-34H2,1-4H3/q+2InChIKey
HZQBNIXCSYZYBH-UHFFFAOYSA-NSynonyms
11(25bis((4butoxyphenyl)carbonyl)hexane16diyl)bis(1methylazepanium)
11(25bis(4butoxybenzoyl)hexane16diyl)bis(1methylazepan1ium)iodide
16BIS(4BUTOXYPHENYL)25BIS((1METHYLAZEPAN1IUM1YL)METHYL)HEXANE16DIONE
CCCCOC1=CC=C(C=C1)C(=O)C(CCC(C(N+)2(CCCCCC2)C)C(=O)C3=CC=C(C=C3)OCCCC)C(N+)4(CCCCCC4)C
CCCCOc1ccc(cc1)C(=O)C(C(N+)1(C)CCCCCC1)CCC(C(=O)c1ccc(cc1)OCCCC)C(N+)1(C)CCCCCC1
CCCCOc1ccc(cc1)C(=O)C(C(N+)1(C)CCCCCC1)CCC(C(=O)c1ccc(cc1)OCCCC)C(N+)1(C)CCCCCC1(I)(I)
InChI=1SC42H66N2O4c157314739231935(202439)41(45)37(3343(3)2713910142843)171838(3444(4)29151112163044)42(46)36212540(262236)4832862h19263738H5182734H214H3q+2
ZINC000095856912
ZINC000095856917
Check stock
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Check stock on Vitas-MAvailable files
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