Vitas-M small molecule compound
(E)-(3,4-dimethoxyphenyl){2-(2,3-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL046811
SMILES COc1c(OC)cccc1C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)OC)OC)/[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 C26H32N2O7 MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O7/c1-27(2)13-8-14-28-22(17-9-7-10-19(33-4)25(17)35-6)21(24(30)26(28)31)23(29)16-11-12-18(32-3)20(15-16)34-5/h7,9-12,15,22,29H,8,13-14H2,1-6H3/b23-21+InChIKey
XKWZYKRVJXQWRO-XTQSDGFTSA-NSynonyms
615276-47-6(4E)5(23DIMETHOXYPHENYL)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)PYRROLIDINE23DIONE
(4Z)5(23DIMETHOXYPHENYL)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)PYRROLIDINE23DIONE
(E)(34dimethoxyphenyl)(2(23dimethoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(34DIMETHOXYPHENYL)(2(23DIMETHOXYPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
5(23DIMETHOXYPHENYL)4((34DIMETHOXYPHENYL)CARBONYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY3PYRROLIN2ONE
615276476
C(NH+)(C)CCCN1C(C(=C(C2=CC(=C(C=C2)OC)OC)(O))C(=O)C1=O)C3=C(C(=CC=C3)OC)OC
COc1c(OC)cccc1C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(c(c1)OC)OC)(O)
InChI=1SC26H32N2O7c127(2)138142822(17971019(334)25(17)356)21(24(30)26(28)31)23(29)16111218(323)20(1516)345h7912152229H81314H216H3b2321+
MFCD18248929
ZINC000009241418
ZINC000009241420
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