Vitas-M small molecule compound
(E)-{2-(3-butoxyphenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL056758
SMILES CCCCOc1cccc(c1)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 C30H38N2O6 MW 522.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O6/c1-4-7-16-36-23-11-8-10-21(19-23)27-26(28(33)22-12-13-24-25(20-22)38-18-17-37-24)29(34)30(35)32(27)15-9-14-31(5-2)6-3/h8,10-13,19-20,27,33H,4-7,9,14-18H2,1-3H3/b28-26+InChIKey
BDVYHTWTEVQEAK-BYCLXTJYSA-NSynonyms
578746-01-7(4E)5(3BUTOXYPHENYL)1(3(DIETHYLAMINO)PROPYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(3butoxyphenyl)1(3(diethylammonio)propyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(2(3BUTOXYPHENYL)1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
578746017
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN(CC)CC
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
InChI=1SC30H38N2O6c1471636231181021(1923)2726(28(33)2212132425(2022)3818173724)29(34)30(35)32(27)1591431(52)63h8101319202733H4791418H213H3b2826+
MFCD18249767
ZINC000102896845
ZINC000102896847
Check stock
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Check stock on Vitas-MAvailable files
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