Vitas-M small molecule compound
(E)-{2-[3-ethoxy-4-(pentyloxy)phenyl]-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK568727
SMILES CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1
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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 C33H36N2O6 MW 556.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N2O6/c1-4-6-7-16-40-27-11-8-23(19-28(27)39-5-2)30-29(31(36)24-9-10-26-25(18-24)17-21(3)41-26)32(37)33(38)35(30)20-22-12-14-34-15-13-22/h8-15,18-19,21,30,36H,4-7,16-17,20H2,1-3H3/b31-29+InChIKey
IDKQRYIGJSPLJL-OWWNRXNESA-NSynonyms
(4E)5(3ETHOXY4PENTOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3ethoxy4(pentyloxy)phenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(3ETHOXY4PENTOXYPHENYL)45DIOXO1(PYRIDIN1IUM4YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CC5=CC=NC=C5)OCC
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1Cc1cc(nH+)cc1
InChI=1SC33H36N2O6c146716402711823(1928(27)3952)3029(31(36)249102625(1824)1721(3)4126)32(37)33(38)35(30)2022121434151322h8151819213036H47161720H213H3b3129+
MFCD18245247
ZINC000102553972
ZINC000102652894
Check stock
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Check stock on Vitas-MAvailable files
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