Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Catalog ID
STL037853
SMILES COc1cccc2c1oc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCC[NH+](C)C)/[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 C28H32N2O5 MW 476.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O5/c1-17(2)18-10-12-19(13-11-18)24-23(26(32)28(33)30(24)15-7-14-29(3)4)25(31)22-16-20-8-6-9-21(34-5)27(20)35-22/h6,8-13,16-17,24,31H,7,14-15H2,1-5H3/b25-23+InChIKey
CEACRKDJZAHIER-WJTDDFOZSA-NSynonyms
(E)(1(3(dimethylammonio)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)(7methoxy1benzofuran2yl)methanolate
COc1cccc2c1oc(c2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCC(NH+)(C)C)(O)
MFCD18247507
ZINC000009046606
ZINC000009046607
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