Vitas-M small molecule compound

methyl 4-{1-[2-(dimethylamino)ethyl]-4-hydroxy-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate

Catalog ID
STK516507
SMILES COC(=O)c1ccc(cc1)C1C(=C(C(=O)N1CCN(C)C)O)C(=O)c1oc2c(c1)cccc2OC

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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 C26H26N2O7 MW 478.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O7/c1-27(2)12-13-28-21(15-8-10-16(11-9-15)26(32)34-4)20(23(30)25(28)31)22(29)19-14-17-6-5-7-18(33-3)24(17)35-19/h5-11,14,21,30H,12-13H2,1-4H3
InChIKey
PVNWDVVPKLTOPS-UHFFFAOYSA-N
Synonyms
623540-23-8
1(2(DIMETHYLAZANIUMYL)ETHYL)3(7METHOXY1BENZOFURAN2CARBONYL)2(4METHOXYCARBONYLPHENYL)5OXO2HPYRROL4OLATE
623540238
CN(C)CCN1C(C(=C(C1=O)O)C(=O)C2=CC3=C(O2)C(=CC=C3)OC)C4=CC=C(C=C4)C(=O)OC
InChI=1SC26H26N2O7c127(2)12132821(1581016(11915)26(32)344)20(23(30)25(28)31)22(29)19141765718(333)24(17)3519h511142130H1213H214H3
methyl4(1(2(dimethylamino)ethyl)4hydroxy3((7methoxy1benzofuran2yl)carbonyl)5oxo25dihydro1Hpyrrol2yl)benzoate
methyl4(1(2(dimethylamino)ethyl)4hydroxy3(7methoxy1benzofuran2carbonyl)5oxo2Hpyrrol2yl)benzoate
methyl4(1(2(dimethylamino)ethyl)4hydroxy3(7methoxybenzofuran2carbonyl)5oxo25dihydro1Hpyrrol2yl)benzoate
METHYL4(1(2DIMETHYLAMINOETHYL)4HYDROXY3(7METHOXY1BENZOFURAN2CARBONYL)5OXO2HPYRROL2YL)BENZOATE
MFCD04146229
ZINC000020219877
ZINC000020219878

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Available files

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