Vitas-M small molecule compound
(E)-[2-(3-ethoxyphenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene](2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL041321
SMILES CCOc1cccc(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 C28H26N2O5 MW 470.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O5/c1-3-34-22-6-4-5-19(15-22)25-24(26(31)20-7-8-23-21(14-20)13-17(2)35-23)27(32)28(33)30(25)16-18-9-11-29-12-10-18/h4-12,14-15,17,25,31H,3,13,16H2,1-2H3/b26-24+InChIKey
VCRYHCPJVJOFPM-SHHOIMCASA-NSynonyms
(4E)5(3ETHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3ETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM4YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
(E)(2(3ethoxyphenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)(O))C(=O)C(=O)N2CC5=CC=(NH+)C=C5
CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1Cc1cc(nH+)cc1
InChI=1SC28H26N2O5c13342264519(1522)2524(26(31)20782321(1420)1317(2)3523)27(32)28(33)30(25)161891129121018h4121415172531H31316H212H3b2624+
MFCD18248085
ZINC000102868537
ZINC000102868544
Check stock
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