Vitas-M small molecule compound
3-(5-{[(1,3-benzodioxol-5-ylmethyl)amino]methyl}furan-2-yl)benzoic acid
Catalog ID
STK512431
SMILES OC(=O)c1cccc(c1)c1ccc(o1)CNCc1ccc2c(c1)OCO2
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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 C20H17NO5 MW 351.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO5/c22-20(23)15-3-1-2-14(9-15)17-7-5-16(26-17)11-21-10-13-4-6-18-19(8-13)25-12-24-18/h1-9,21H,10-12H2,(H,22,23)InChIKey
DODZYLRDOMYDPQ-UHFFFAOYSA-NSynonyms
3(5(((13benzodioxol5ylmethyl)amino)methyl)furan2yl)benzoicacid
3(5(((benzo(d)(13)dioxol5ylmethyl)amino)methyl)furan2yl)benzoicacidhydrochloride
3(5((13benzodioxol5ylmethylazaniumyl)methyl)furan2yl)benzoate
C1OC2=C(O1)C=C(C=C2)C(NH2+)CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)(O)
InChI=1SC20H17NO5c2220(23)1531214(915)177516(2617)11211013461819(813)25122418h1921H1012H2(H2223)
MFCD09691810
OC(=O)c1cccc(c1)c1ccc(o1)CNCc1ccc2c(c1)OCO2Cl
ZINC000013691301
ZINC13691301
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