Vitas-M small molecule compound
(E)-[4,5-dioxo-2-(3-propoxyphenyl)-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL044247
SMILES CCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1
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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 C29H28N2O5 MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O5/c1-3-12-35-23-8-4-7-20(15-23)26-25(27(32)21-9-10-24-22(14-21)13-18(2)36-24)28(33)29(34)31(26)17-19-6-5-11-30-16-19/h4-11,14-16,18,26,32H,3,12-13,17H2,1-2H3/b27-25+InChIKey
BXPDRHIIVUFPDK-IMVLJIQESA-NSynonyms
(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3PROPOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45DIOXO2(3PROPOXYPHENYL)1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
(E)(45dioxo2(3propoxyphenyl)1(pyridinium3ylmethyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CC5=CN=CC=C5
CCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC29H28N2O5c1312352384720(1523)2625(27(32)219102422(1421)1318(2)3624)28(33)29(34)31(26)17196511301619h4111416182632H3121317H212H3b2725+
MFCD18248378
ZINC000102874163
ZINC000102874170
Check stock
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Check stock on Vitas-MAvailable files
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