Vitas-M small molecule compound
(E)-[2-(2,5-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL055053
SMILES COc1ccc(cc1C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCC(C)C)/[O-])OC
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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 C29H30N2O6 MW 502.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O6/c1-18(2)17-37-21-9-7-20(8-10-21)27(32)25-26(23-14-22(35-3)11-12-24(23)36-4)31(29(34)28(25)33)16-19-6-5-13-30-15-19/h5-15,18,26,32H,16-17H2,1-4H3/b27-25+InChIKey
URVNHIFLSHCPNK-IMVLJIQESA-NSynonyms
842954-98-7(4E)5(25DIMETHOXYPHENYL)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(25DIMETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4(2METHYLPROPOXY)PHENYL)METHANOLATE
(E)(2(25dimethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4(2methylpropoxy)phenyl)methanolate
842954987
CC(C)COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=C(C=CC(=C4)OC)OC)O
COc1ccc(cc1C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(cc1)OCC(C)C)(O))OC
InChI=1SC29H30N2O6c118(2)1737219720(81021)27(32)2526(231422(353)111224(23)364)31(29(34)28(25)33)16196513301519h515182632H1617H214H3b2725+
MFCD18249652
ZINC000102893759
ZINC000102893761
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.