Vitas-M small molecule compound
(E)-[2-(4-butoxy-3-ethoxyphenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene](2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL054907
SMILES CCCCOc1ccc(cc1OCC)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 C32H34N2O6 MW 542.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O6/c1-4-6-15-39-26-10-7-22(18-27(26)38-5-2)29-28(30(35)23-8-9-25-24(17-23)16-20(3)40-25)31(36)32(37)34(29)19-21-11-13-33-14-12-21/h7-14,17-18,20,29,35H,4-6,15-16,19H2,1-3H3/b30-28+InChIKey
KDZFHYFJGVVDAV-SJCQXOIGSA-NSynonyms
877647-00-2(4E)5(4BUTOXY3ETHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4BUTOXY3ETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM4YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
(E)(2(4butoxy3ethoxyphenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
877647002
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CC5=CC=NC=C5)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1Cc1cc(nH+)cc1
InChI=1SC32H34N2O6c14615392610722(1827(26)3852)2928(30(35)23892524(1723)1620(3)4025)31(36)32(37)34(29)1921111333141221h7141718202935H46151619H213H3b3028+
MFCD18249638
ZINC000102893347
ZINC000102893352
Check stock
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