Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-[3-(pentyloxy)phenyl]pyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STK589291
SMILES CCCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[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/c1-4-7-8-16-36-23-11-9-10-21(19-23)27-26(29(34)30(35)32(27)15-14-31(5-2)6-3)28(33)22-12-13-24-25(20-22)38-18-17-37-24/h9-13,19-20,27,33H,4-8,14-18H2,1-3H3/b28-26+InChIKey
LLEGTHIHKHSQRU-BYCLXTJYSA-NSynonyms
578746-23-3(4E)1(2DIETHYLAMINOETHYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3PENTOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)45dioxo2(3(pentyloxy)phenyl)pyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(1(2(diethylazaniumyl)ethyl)45dioxo2(3pentoxyphenyl)pyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
578746233
CCCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CC(NH+)(CC)CC
CCCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CC(NH+)(CC)CC
InChI=1SC30H38N2O6c14781636231191021(1923)2726(29(34)30(35)32(27)151431(52)63)28(33)2212132425(2022)3818173724h91319202733H481418H213H3b2826+
MFCD07203701
ZINC000102604917
ZINC000102604923
Check stock
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Check stock on Vitas-MAvailable files
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