Vitas-M small molecule compound
4-chloro-3-[5-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)furan-2-yl]benzoic acid
Catalog ID
STK723851
SMILES COc1cc(CCNCc2ccc(o2)c2cc(ccc2Cl)C(=O)O)ccc1OC
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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 C22H22ClNO5 MW 415.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClNO5/c1-27-20-7-3-14(11-21(20)28-2)9-10-24-13-16-5-8-19(29-16)17-12-15(22(25)26)4-6-18(17)23/h3-8,11-12,24H,9-10,13H2,1-2H3,(H,25,26)InChIKey
OSHVKUVUYJLWPO-UHFFFAOYSA-NSynonyms
4chloro3(5(((2(34dimethoxyphenyl)ethyl)amino)methyl)furan2yl)benzoicacid
4chloro3(5(((34dimethoxyphenethyl)amino)methyl)furan2yl)benzoicacidhydrochloride
4chloro3(5((2(34dimethoxyphenyl)ethylazaniumyl)methyl)furan2yl)benzoate
COC1=C(C=C(C=C1)CC(NH2+)CC2=CC=C(O2)C3=C(C=CC(=C3)C(=O)(O))Cl)OC
COc1cc(CCNCc2ccc(o2)c2cc(ccc2Cl)C(=O)O)ccc1OCCl
InChI=1SC22H22ClNO5c127207314(1121(20)282)9102413165819(2916)171215(22(25)26)4618(17)23h38111224H91013H212H3(H2526)
MFCD09691860
ZINC000013687870
ZINC13687870
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