Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(2,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}(pyridin-4-yl)methanolate
Catalog ID
STL045232
SMILES COc1cc(OC)c(cc1C1/C(=C(/c2ccncc2)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C)OC
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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 C24H29N3O6 MW 455.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N3O6/c1-26(2)11-6-12-27-21(16-13-18(32-4)19(33-5)14-17(16)31-3)20(23(29)24(27)30)22(28)15-7-9-25-10-8-15/h7-10,13-14,21,28H,6,11-12H2,1-5H3/b22-20+InChIKey
JPBZBIXLYVNMLE-LSDHQDQOSA-NSynonyms
848736-86-7(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(PYRIDIN4YL)METHYLIDENE)5(245TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)45dioxo2(245trimethoxyphenyl)pyrrolidin3ylidene)(pyridin4yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(245TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)PYRIDIN4YLMETHANOLATE
848736867
CN(C)CCCN1C(C(=C(C2=CC=NC=C2)O)C(=O)C1=O)C3=CC(=C(C=C3OC)OC)OC
COc1cc(OC)c(cc1C1C(=C(c2ccncc2)(O))C(=O)C(=O)N1CCC(NH+)(C)C)OC
InChI=1SC24H29N3O6c126(2)116122721(161318(324)19(335)1417(16)313)20(23(29)24(27)30)22(28)15792510815h71013142128H61112H215H3b2220+
MFCD18248597
ZINC000102877084
ZINC000102877087
Check stock
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Check stock on Vitas-MAvailable files
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