Vitas-M small molecule compound
(E)-{2-(3-chlorophenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Catalog ID
STL038115
SMILES COc1cccc2c1oc(c2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Cl)CCC[NH+](CC)CC)/[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 C27H29ClN2O5 MW 496.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN2O5/c1-4-29(5-2)13-8-14-30-23(17-9-6-11-19(28)15-17)22(25(32)27(30)33)24(31)21-16-18-10-7-12-20(34-3)26(18)35-21/h6-7,9-12,15-16,23,31H,4-5,8,13-14H2,1-3H3/b24-22+InChIKey
HUHJCMBYVXEBOK-ZNTNEXAZSA-NSynonyms
(E)(2(3chlorophenyl)1(3(diethylammonio)propyl)45dioxopyrrolidin3ylidene)(7methoxy1benzofuran2yl)methanolate
COc1cccc2c1oc(c2)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Cl)CCC(NH+)(CC)CC)(O)
MFCD18247562
ZINC000009041665
ZINC000009122814
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