Vitas-M small molecule compound

3-[(4-{(E)-[1-(2-fluorobenzyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-iodo-6-methoxyphenoxy)methyl]benzoic acid

Catalog ID
STK086676
SMILES COc1cc(/C=C\2/NC(=O)N(C2=O)Cc2ccccc2F)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 C26H20FIN2O6 MW 602.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20FIN2O6/c1-35-22-12-16(10-20(28)23(22)36-14-15-5-4-7-17(9-15)25(32)33)11-21-24(31)30(26(34)29-21)13-18-6-2-3-8-19(18)27/h2-12H,13-14H2,1H3,(H,29,34)(H,32,33)/b21-11+
InChIKey
NQPZPEVZWPPOEC-SRZZPIQSSA-N
Synonyms

3((4((E)(1((2FLUOROPHENYL)METHYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)2IODO6METHOXYPHENOXY)METHYL)BENZOICACID
3((4((E)(1(2FLUOROBENZYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)2IODO6METHOXYPHENOXY)METHYL)BENZOICACID
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)N2)CC3=CC=CC=C3F)I)OCC4=CC=CC(=C4)C(=O)O
COc1cc(C=C2NC(=O)N(C2=O)Cc2ccccc2F)cc(c1OCc1cccc(c1)C(=O)O)I
InChI=1SC26H20FIN2O6c135221216(1020(28)23(22)36141554717(915)25(32)33)112124(31)30(26(34)2921)1318623819(18)27h212H1314H21H3(H2934)(H3233)b2111+
MFCD04126467
STK086676
ZINC000097959143
ZINC97959143

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Available files

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