Vitas-M small molecule compound
(E)-{2-(4-chlorophenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Catalog ID
STK565576
SMILES COc1cccc2c1oc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)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)14-7-15-30-23(17-10-12-19(28)13-11-17)22(25(32)27(30)33)24(31)21-16-18-8-6-9-20(34-3)26(18)35-21/h6,8-13,16,23,31H,4-5,7,14-15H2,1-3H3/b24-22+InChIKey
DANZQGMJKHVWJH-ZNTNEXAZSA-NSynonyms
(E)(2(4chlorophenyl)1(3(diethylammonio)propyl)45dioxopyrrolidin3ylidene)(7methoxy1benzofuran2yl)methanolate
COc1cccc2c1oc(c2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Cl)CCC(NH+)(CC)CC)(O)
MFCD18244825
ZINC000008905412
ZINC000008905415
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