Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(dimethylammonio)propyl]-2-[3-ethoxy-4-(pentyloxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK568330
SMILES CCCCCOc1ccc(cc1OCC)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 C31H40N2O7 MW 552.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O7/c1-5-7-8-16-38-23-12-10-21(19-25(23)37-6-2)28-27(30(35)31(36)33(28)15-9-14-32(3)4)29(34)22-11-13-24-26(20-22)40-18-17-39-24/h10-13,19-20,28,34H,5-9,14-18H2,1-4H3/b29-27+InChIKey
XJWWMMWKADEZRA-ORIPQNMZSA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5(3ETHOXY4PENTOXYPHENYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(1(3(dimethylammonio)propyl)2(3ethoxy4(pentyloxy)phenyl)45dioxopyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(1(3(DIMETHYLAZANIUMYL)PROPYL)2(3ETHOXY4PENTOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN(C)C)OCC
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC31H40N2O7c1578163823121021(1925(23)3762)2827(30(35)31(36)33(28)1591432(3)4)29(34)2211132426(2022)4018173924h101319202834H591418H214H3b2927+
MFCD18245224
ZINC000102551782
ZINC000102551788
Check stock
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Check stock on Vitas-MAvailable files
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