Vitas-M small molecule compound

2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-diiodophenoxy}-N,N,N-triethylethanaminium

Catalog ID
STK999690
SMILES CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCC[N+](CC)(CC)CC)cccc2

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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 C27H34I2NO3 MW 674.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34I2NO3/c1-5-9-13-24-25(20-12-10-11-14-23(20)33-24)26(31)19-17-21(28)27(22(29)18-19)32-16-15-30(6-2,7-3)8-4/h10-12,14,17-18H,5-9,13,15-16H2,1-4H3/q+1
InChIKey
HTOSZSOSKRJSFM-UHFFFAOYSA-N
Synonyms

2(4((2butyl1benzofuran3yl)carbonyl)26diiodophenoxy)NNNtriethylethanaminium
2(4(2BUTYL1BENZOFURAN3CARBONYL)26DIIODOPHENOXY)ETHYLTRIETHYLAZANIUM
2(4(2butylbenzofuran3carbonyl)26diiodophenoxy)NNNtriethylethanaminiumbromide
CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCC(N+)(CC)(CC)CC)I
CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCC(N+)(CC)(CC)CC)cccc2
CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCC(N+)(CC)(CC)CC)cccc2(Br)
InChI=1SC27H34I2NO3c159132425(201210111423(20)3324)26(31)191721(28)27(22(29)1819)32161530(6273)84h1012141718H59131516H214H3q+1
MFCD03691455
ZINC000150525934
ZINC150525934

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Available files

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