Vitas-M small molecule compound
(E)-{2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL057524
SMILES CCOc1cc(ccc1OCCC(C)C)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/c1-5-39-28-18-23(6-9-27(28)40-15-12-20(2)3)30-29(31(36)24-7-8-26-25(17-24)16-21(4)41-26)32(37)33(38)35(30)19-22-10-13-34-14-11-22/h6-11,13-14,17-18,20-21,30,36H,5,12,15-16,19H2,1-4H3/b31-29+InChIKey
HQNCNAMBBOPZBZ-OWWNRXNESA-NSynonyms
1017497-04-9(4E)5(3ETHOXY4(3METHYLBUTOXY)PHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3ETHOXY4(3METHYLBUTOXY)PHENYL)45DIOXO1(PYRIDIN1IUM4YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
(E)(2(3ethoxy4(3methylbutoxy)phenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
1017497049
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CC5=CC=NC=C5)OCCC(C)C
CCOc1cc(ccc1OCCC(C)C)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1Cc1cc(nH+)cc1
InChI=1SC33H36N2O6c1539281823(6927(28)40151220(2)3)3029(31(36)24782625(1724)1621(4)4126)32(37)33(38)35(30)1922101334141122h6111314171820213036H512151619H214H3b3129+
MFCD18249816
ZINC000102899754
ZINC000102899762
Check stock
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