Vitas-M small molecule compound
(E)-{2-[4-(benzyloxy)-3-ethoxyphenyl]-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL053423
SMILES CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C
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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 C33H36N2O7 MW 572.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N2O7/c1-4-39-27-19-23(11-13-26(27)42-21-22-9-6-5-7-10-22)30-29(32(37)33(38)35(30)16-8-15-34(2)3)31(36)24-12-14-25-28(20-24)41-18-17-40-25/h5-7,9-14,19-20,30,36H,4,8,15-18,21H2,1-3H3/b31-29+InChIKey
RYNKERAJEVSOTL-OWWNRXNESA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5(3ETHOXY4PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(2(4(benzyloxy)3ethoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(1(3(DIMETHYLAZANIUMYL)PROPYL)2(3ETHOXY4PHENYLMETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN(C)C)OCC5=CC=CC=C5
CCOc1cc(ccc1OCc1ccccc1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC33H36N2O7c1439271923(111326(27)42212296571022)3029(32(37)33(38)35(30)1681534(2)3)31(36)2412142528(2024)4118174025h5791419203036H48151821H213H3b3129+
MFCD18249536
ZINC000102893226
ZINC000102893229
Check stock
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