Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL053095
SMILES COc1cc(ccc1OC)C1N(CCC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/[O-]
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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 C28H34N2O7 MW 510.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O7/c1-5-29(6-2)12-7-13-30-25(18-8-10-20(34-3)22(16-18)35-4)24(27(32)28(30)33)26(31)19-9-11-21-23(17-19)37-15-14-36-21/h8-11,16-17,25,31H,5-7,12-15H2,1-4H3/b26-24+InChIKey
ITJJFKFVQNMSTF-SHHOIMCASA-NSynonyms
578763-01-6(4E)1(3(DIETHYLAMINO)PROPYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(34DIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)2(34dimethoxyphenyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(34DIMETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
578763016
CC(NH+)(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)(O))C(=O)C1=O)C4=CC(=C(C=C4)OC)OC
COc1cc(ccc1OC)C1N(CCC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)(O)
InChI=1SC28H34N2O7c1529(62)127133025(1881020(343)22(1618)354)24(27(32)28(30)33)26(31)199112123(1719)3715143621h81116172531H571215H214H3b2624+
MFCD18249513
ZINC000102891338
ZINC000102891340
Check stock
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Check stock on Vitas-MAvailable files
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