Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-[3-methoxy-4-(pentyloxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL057356
SMILES CCCCCOc1ccc(cc1OC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCC[NH+](CC)CC
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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 C32H42N2O7 MW 566.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H42N2O7/c1-5-8-9-17-39-24-13-11-22(20-26(24)38-4)29-28(30(35)23-12-14-25-27(21-23)41-19-18-40-25)31(36)32(37)34(29)16-10-15-33(6-2)7-3/h11-14,20-21,29,35H,5-10,15-19H2,1-4H3/b30-28+InChIKey
VSWUGZXIXJREBI-SJCQXOIGSA-NSynonyms
(4E)1(3(DIETHYLAMINO)PROPYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3METHOXY4PENTOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)2(3methoxy4(pentyloxy)phenyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(3METHOXY4PENTOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN(CC)CC)OC
CCCCCOc1ccc(cc1OC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
InChI=1SC32H42N2O7c1589173924131122(2026(24)384)2928(30(35)2312142527(2123)4119184025)31(36)32(37)34(29)16101533(62)73h111420212935H5101519H214H3b3028+
MFCD18249806
ZINC000102899464
ZINC000102899465
Check stock
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Check stock on Vitas-MAvailable files
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