Vitas-M small molecule compound
(E)-{2-[3-(benzyloxy)phenyl]-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK563852
SMILES CC1Cc2c(O1)ccc(c2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)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 C32H34N2O5 MW 526.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O5/c1-21-17-25-18-24(13-14-27(25)39-21)30(35)28-29(34(32(37)31(28)36)16-8-15-33(2)3)23-11-7-12-26(19-23)38-20-22-9-5-4-6-10-22/h4-7,9-14,18-19,21,29,35H,8,15-17,20H2,1-3H3/b30-28+InChIKey
SCJYKCMXCMHZPV-SJCQXOIGSA-NSynonyms
843622-00-4(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(3PHENYLMETHOXYPHENYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
(E)(2(3(benzyloxy)phenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
843622004
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN(C)C)C4=CC(=CC=C4)OCC5=CC=CC=C5)O
CC1Cc2c(O1)ccc(c2)C(=C1C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)CCC(NH+)(C)C)(O)
InChI=1SC32H34N2O5c12117251824(131427(25)3921)30(35)2829(34(32(37)31(28)36)1681533(2)3)231171226(1923)38202295461022h479141819212935H8151720H213H3b3028+
MFCD18244399
ZINC000102523892
ZINC000102647255
Check stock
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Check stock on Vitas-MAvailable files
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