Vitas-M small molecule compound
(E)-{2-(4-butoxy-3-methoxyphenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL042349
SMILES CCCCOc1ccc(cc1OC)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 C31H40N2O7 MW 552.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O7/c1-5-8-16-38-23-12-10-21(19-25(23)37-4)28-27(29(34)22-11-13-24-26(20-22)40-18-17-39-24)30(35)31(36)33(28)15-9-14-32(6-2)7-3/h10-13,19-20,28,34H,5-9,14-18H2,1-4H3/b29-27+InChIKey
MRZGYKUYEFAJBX-ORIPQNMZSA-NSynonyms
(4E)5(4BUTOXY3METHOXYPHENYL)1(3(DIETHYLAMINO)PROPYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4butoxy3methoxyphenyl)1(3(diethylammonio)propyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(2(4BUTOXY3METHOXYPHENYL)1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN(CC)CC)OC
CCCCOc1ccc(cc1OC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
InChI=1SC31H40N2O7c158163823121021(1925(23)374)2827(29(34)2211132426(2022)4018173924)30(35)31(36)33(28)1591432(62)73h101319202834H591418H214H3b2927+
MFCD18248156
ZINC000102870573
ZINC000102870575
Check stock
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Check stock on Vitas-MAvailable files
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