Vitas-M small molecule compound
3-({4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Catalog ID
STK113164
SMILES COc1cc(ccc1OCc1cccc(c1)C(=O)O)/C=C\1/NC(=O)N(C1=O)c1ccccc1
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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 C25H20N2O6 MW 444.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O6/c1-32-22-14-16(10-11-21(22)33-15-17-6-5-7-18(12-17)24(29)30)13-20-23(28)27(25(31)26-20)19-8-3-2-4-9-19/h2-14H,15H2,1H3,(H,26,31)(H,29,30)/b20-13+InChIKey
PXKHHQDPXMCDHA-DEDYPNTBSA-NSynonyms
3((4((E)(25DIOXO1PHENYLIMIDAZOLIDIN4YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZOICACID
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)N2)C3=CC=CC=C3)OCC4=CC=CC(=C4)C(=O)O
COc1cc(ccc1OCc1cccc(c1)C(=O)O)C=C1NC(=O)N(C1=O)c1ccccc1
InChI=1SC25H20N2O6c132221416(101121(22)33151765718(1217)24(29)30)132023(28)27(25(31)2620)198324919h214H15H21H3(H2631)(H2930)b2013+
MFCD03553500
ZINC000009323346
ZINC9323346
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