Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-[3-(pentyloxy)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STK568565
SMILES CCCCCOc1cccc(c1)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 C29H36N2O6 MW 508.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O6/c1-4-5-6-15-35-22-10-7-9-20(18-22)26-25(28(33)29(34)31(26)14-8-13-30(2)3)27(32)21-11-12-23-24(19-21)37-17-16-36-23/h7,9-12,18-19,26,32H,4-6,8,13-17H2,1-3H3/b27-25+InChIKey
ILVUFLMGZFCDDL-IMVLJIQESA-NSynonyms
578754-29-7(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5(3PENTOXYPHENYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(1(3(dimethylammonio)propyl)45dioxo2(3(pentyloxy)phenyl)pyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(3PENTOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
578754297
CCCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN(C)C
CCCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC29H36N2O6c1456153522107920(1822)2625(28(33)29(34)31(26)1481330(2)3)27(32)2111122324(1921)3717163623h791218192632H4681317H213H3b2725+
MFCD18245234
ZINC000102552894
ZINC000102552899
Check stock
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Check stock on Vitas-MAvailable files
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