Vitas-M small molecule compound

2,2'-[(1,6-dioxohexane-1,6-diyl)diimino]bis[4-(4-bromophenyl)thiophene-3-carboxylic acid]

Catalog ID
STK536222
SMILES O=C(Nc1scc(c1C(=O)O)c1ccc(cc1)Br)CCCCC(=O)Nc1scc(c1C(=O)O)c1ccc(cc1)Br

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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 C28H22Br2N2O6S2 MW 706.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22Br2N2O6S2/c29-17-9-5-15(6-10-17)19-13-39-25(23(19)27(35)36)31-21(33)3-1-2-4-22(34)32-26-24(28(37)38)20(14-40-26)16-7-11-18(30)12-8-16/h5-14H,1-4H2,(H,31,33)(H,32,34)(H,35,36)(H,37,38)
InChIKey
NATJESXUJKSRQU-UHFFFAOYSA-N
Synonyms

22((16dioxohexane16diyl)diimino)bis(4(4bromophenyl)thiophene3carboxylicacid)
22(adipoylbis(azanediyl))bis(4(4bromophenyl)thiophene3carboxylicacid)
4(4BROMOPHENYL)2((6((4(4BROMOPHENYL)3CARBOXY2THIENYL)AMINO)6OXOHEXANOYL)AMINO)3THIOPHENECARBOXYLICACID
4(4BROMOPHENYL)2((6((4(4BROMOPHENYL)3CARBOXYTHIOPHEN2YL)AMINO)6OXOHEXANOYL)AMINO)THIOPHENE3CARBOXYLICACID
C1=CC(=CC=C1C2=CSC(=C2C(=O)O)NC(=O)CCCCC(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)O)Br
InChI=1SC28H22Br2N2O6S2c29179515(61017)19133925(23(19)27(35)36)3121(33)312422(34)322624(28(37)38)20(144026)1671118(30)12816h514H14H2(H3133)(H3234)(H3536)(H3738)
MFCD01464834
ZINC000008400552
ZINC8400552

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Available files

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