Vitas-M small molecule compound
(E)-{2-[3-(3-methylbutoxy)phenyl]-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL039071
SMILES CC(CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1)C
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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 C31H32N2O5 MW 512.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O5/c1-19(2)11-13-37-25-8-4-7-22(16-25)28-27(29(34)23-9-10-26-24(15-23)14-20(3)38-26)30(35)31(36)33(28)18-21-6-5-12-32-17-21/h4-10,12,15-17,19-20,28,34H,11,13-14,18H2,1-3H3/b29-27+InChIKey
SWKARDYIBSDPNU-ORIPQNMZSA-NSynonyms
843620-99-5(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3(3METHYLBUTOXY)PHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3(3METHYLBUTOXY)PHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
(E)(2(3(3methylbutoxy)phenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
843620995
CC(CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1)C
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC(=CC=C5)OCCC(C)C)O
InChI=1SC31H32N2O5c119(2)1113372584722(1625)2827(29(34)239102624(1523)1420(3)3826)30(35)31(36)33(28)18216512321721h41012151719202834H11131418H213H3b2927+
MFCD18247763
ZINC000102076734
ZINC000102076749
Check stock
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