Vitas-M small molecule compound
(E)-1-benzofuran-2-yl{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STL043642
SMILES C[NH+](CCCN1C(c2ccc(cc2)C(C)C)/C(=C(/c2cc3c(o2)cccc3)\[O-])/C(=O)C1=O)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 C27H30N2O4 MW 446.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O4/c1-17(2)18-10-12-19(13-11-18)24-23(26(31)27(32)29(24)15-7-14-28(3)4)25(30)22-16-20-8-5-6-9-21(20)33-22/h5-6,8-13,16-17,24,30H,7,14-15H2,1-4H3/b25-23+InChIKey
DIZOTUQIGADFMH-WJTDDFOZSA-NSynonyms
(E)1benzofuran2yl(1(3(dimethylammonio)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)methanolate
C(NH+)(CCCN1C(c2ccc(cc2)C(C)C)C(=C(c2cc3c(o2)cccc3)(O))C(=O)C1=O)C
MFCD18248253
ZINC000009233922
ZINC000009274589
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