Vitas-M small molecule compound

4-{[(1-{(E)-[1-(4-fluorobenzyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}naphthalen-2-yl)oxy]methyl}benzoic acid

Catalog ID
STK165452
SMILES Fc1ccc(cc1)CN1C(=O)N/C(=C/c2c(OCc3ccc(cc3)C(=O)O)ccc3c2cccc3)/C1=O

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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 C29H21FN2O5 MW 496.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21FN2O5/c30-22-12-7-18(8-13-22)16-32-27(33)25(31-29(32)36)15-24-23-4-2-1-3-20(23)11-14-26(24)37-17-19-5-9-21(10-6-19)28(34)35/h1-15H,16-17H2,(H,31,36)(H,34,35)/b25-15+
InChIKey
RCWKUKFWULFZOY-MFKUBSTISA-N
Synonyms

4(((1((1(4FLUOROBENZYL)25DIOXO4IMIDAZOLIDINYLIDENE)METHYL)2NAPHTHYL)OXY)METHYL)BENZOICACID
4(((1((E)(1(4FLUOROBENZYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)NAPHTHALEN2YL)OXY)METHYL)BENZOICACID
4((1((E)(1((4FLUOROPHENYL)METHYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)NAPHTHALEN2YL)OXYMETHYL)BENZOICACID
C1=CC=C2C(=C1)C=CC(=C2C=C3C(=O)N(C(=O)N3)CC4=CC=C(C=C4)F)OCC5=CC=C(C=C5)C(=O)O
Fc1ccc(cc1)CN1C(=O)NC(=Cc2c(OCc3ccc(cc3)C(=O)O)ccc3c2cccc3)C1=O
InChI=1SC29H21FN2O5c302212718(81322)163227(33)25(3129(32)36)152423421320(23)111426(24)3717195921(10619)28(34)35h115H1617H2(H3136)(H3435)b2515+
MFCD03272443
ZINC000013126192
ZINC13126192

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Available files

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