Vitas-M small molecule compound
(E)-[4,5-dioxo-2-(3-propoxyphenyl)-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene](2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL054234
SMILES CCCOc1cccc(c1)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 C29H28N2O5 MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O5/c1-3-13-35-23-6-4-5-20(16-23)26-25(27(32)21-7-8-24-22(15-21)14-18(2)36-24)28(33)29(34)31(26)17-19-9-11-30-12-10-19/h4-12,15-16,18,26,32H,3,13-14,17H2,1-2H3/b27-25+InChIKey
PHNSCRCAEHEXSD-IMVLJIQESA-NSynonyms
862490-20-8(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3PROPOXYPHENYL)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(45DIOXO2(3PROPOXYPHENYL)1(PYRIDIN1IUM4YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
(E)(45dioxo2(3propoxyphenyl)1(pyridinium4ylmethyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
862490208
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CC5=CC=NC=C5
CCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1Cc1cc(nH+)cc1
InChI=1SC29H28N2O5c1313352364520(1623)2625(27(32)21782422(1521)1418(2)3624)28(33)29(34)31(26)171991130121019h4121516182632H3131417H212H3b2725+
MFCD18249590
ZINC000102892578
ZINC000102892586
Check stock
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Check stock on Vitas-MAvailable files
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