Vitas-M small molecule compound
4-({2-[(E)-(2,5-dioxo-1-propylimidazolidin-4-ylidene)methyl]phenoxy}methyl)benzoic acid
Catalog ID
STK187523
SMILES CCCN1C(=O)N/C(=C/c2ccccc2OCc2ccc(cc2)C(=O)O)/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 C21H20N2O5 MW 380.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5/c1-2-11-23-19(24)17(22-21(23)27)12-16-5-3-4-6-18(16)28-13-14-7-9-15(10-8-14)20(25)26/h3-10,12H,2,11,13H2,1H3,(H,22,27)(H,25,26)/b17-12+InChIKey
HLYSUHYISOYUSA-SFQUDFHCSA-NSynonyms
4((2((E)(25DIOXO1PROPYLIMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CCCN1C(=O)C(=CC2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O)NC1=O
CCCN1C(=O)NC(=Cc2ccccc2OCc2ccc(cc2)C(=O)O)C1=O
InChI=1SC21H20N2O5c12112319(24)17(2221(23)27)1216534618(16)2813147915(10814)20(25)26h31012H21113H21H3(H2227)(H2526)b1712+
MFCD06760891
ZINC000004723789
ZINC4723789
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