Vitas-M small molecule compound

3-({2-ethoxy-4-[(Z)-(1-ethyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-6-iodophenoxy}methyl)benzoic acid

Catalog ID
STK161029
SMILES CCOc1cc(/C=C/2\NC(=O)N(C2=O)CC)cc(c1OCc1cccc(c1)C(=O)O)I

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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 C22H21IN2O6 MW 536.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21IN2O6/c1-3-25-20(26)17(24-22(25)29)10-14-9-16(23)19(18(11-14)30-4-2)31-12-13-6-5-7-15(8-13)21(27)28/h5-11H,3-4,12H2,1-2H3,(H,24,29)(H,27,28)/b17-10-
InChIKey
QHCYROMPHWQXHK-YVLHZVERSA-N
Synonyms

3((2ETHOXY4((Z)(1ETHYL25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)6IODOPHENOXY)METHYL)BENZOICACID
CCN1C(=O)C(=CC2=CC(=C(C(=C2)I)OCC3=CC=CC(=C3)C(=O)O)OCC)NC1=O
CCOc1cc(C=C2NC(=O)N(C2=O)CC)cc(c1OCc1cccc(c1)C(=O)O)I
InChI=1SC22H21IN2O6c132520(26)17(2422(25)29)1014916(23)19(18(1114)3042)31121365715(813)21(27)28h511H3412H212H3(H2429)(H2728)b1710
MFCD04370303
ZINC000097965373
ZINC97965373

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Available files

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