Vitas-M small molecule compound
1,1'-{2,5-bis[(4-ethoxyphenyl)carbonyl]hexane-1,6-diyl}bis(1-methylazepanium)
Catalog ID
STL058974
SMILES CCOc1ccc(cc1)C(=O)C(C[N+]1(C)CCCCCC1)CCC(C(=O)c1ccc(cc1)OCC)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 C38H58N2O4 MW 606.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H58N2O4/c1-5-43-35-21-17-31(18-22-35)37(41)33(29-39(3)25-11-7-8-12-26-39)15-16-34(30-40(4)27-13-9-10-14-28-40)38(42)32-19-23-36(24-20-32)44-6-2/h17-24,33-34H,5-16,25-30H2,1-4H3/q+2InChIKey
RJRNNBYCWWOHJK-UHFFFAOYSA-NSynonyms
11(25bis((4ethoxyphenyl)carbonyl)hexane16diyl)bis(1methylazepanium)
11(25bis(4ethoxybenzoyl)hexane16diyl)bis(1methylazepan1ium)iodide
16BIS(4ETHOXYPHENYL)25BIS((1METHYLAZEPAN1IUM1YL)METHYL)HEXANE16DIONE
CCOC1=CC=C(C=C1)C(=O)C(CCC(C(N+)2(CCCCCC2)C)C(=O)C3=CC=C(C=C3)OCC)C(N+)4(CCCCCC4)C
CCOc1ccc(cc1)C(=O)C(C(N+)1(C)CCCCCC1)CCC(C(=O)c1ccc(cc1)OCC)C(N+)1(C)CCCCCC1
CCOc1ccc(cc1)C(=O)C(C(N+)1(C)CCCCCC1)CCC(C(=O)c1ccc(cc1)OCC)C(N+)1(C)CCCCCC1(I)(I)
InChI=1SC38H58N2O4c154335211731(182235)37(41)33(2939(3)251178122639)151634(3040(4)2713910142840)38(42)32192336(242032)4462h17243334H5162530H214H3q+2
ZINC000006600745
ZINC000006600758
Check stock
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Check stock on Vitas-MAvailable files
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