Vitas-M small molecule compound

3-[(4-{(Z)-[4-hydroxy-1-(2-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid

Catalog ID
STK617057
SMILES COc1cc(ccc1OCc1cccc(c1)C(=O)O)/C=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)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 C27H22N2O7 MW 486.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O7/c1-16-6-3-4-9-21(16)29-25(31)20(24(30)28-27(29)34)13-17-10-11-22(23(14-17)35-2)36-15-18-7-5-8-19(12-18)26(32)33/h3-14H,15H2,1-2H3,(H,32,33)(H,28,30,34)/b20-13-
InChIKey
PKEQQFQJLNYMLM-MOSHPQCFSA-N
Synonyms

COc1cc(ccc1OCc1cccc(c1)C(=O)O)C=C1C(=NC(=O)N(C1=O)c1ccccc1C)O
MFCD08733959
ZINC000008767155

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Available files

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