Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Catalog ID
STL535141
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2oc3c(c2)cccc3OC)\[O-])/C(=O)C(=O)N1CC[NH+](C)C
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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/h5-11,14,21,29H,12-13H2,1-4H3/b22-20+InChIKey
IKCZKZYZBFQRPZ-LSDHQDQOSA-NSynonyms
(E)(1(2(dimethylammonio)ethyl)2(4(methoxycarbonyl)phenyl)45dioxopyrrolidin3ylidene)(7methoxy1benzofuran2yl)methanolate
InChI=1SC26H26N2O7c127(2)12132821(1581016(11915)26(32)344)20(23(30)25(28)31)22(29)19141765718(333)24(17)3519h511142129H1213H214H3b2220+
MFCD31754028
ZINC000009008293
ZINC000009008294
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