Vitas-M small molecule compound
(E)-(3-chloro-4-methoxyphenyl){2-(2,3-dimethoxyphenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL037045
SMILES COc1c(OC)cccc1C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)Cl)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 C24H27ClN2O6 MW 474.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27ClN2O6/c1-26(2)11-12-27-20(15-7-6-8-18(32-4)23(15)33-5)19(22(29)24(27)30)21(28)14-9-10-17(31-3)16(25)13-14/h6-10,13,20,28H,11-12H2,1-5H3/b21-19+InChIKey
RKXSNNTVDKTWCO-XUTLUUPISA-NSynonyms
636988-23-3(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)5(23DIMETHOXYPHENYL)1(2DIMETHYLAMINOETHYL)PYRROLIDINE23DIONE
(4Z)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)5(23DIMETHOXYPHENYL)1(2DIMETHYLAMINOETHYL)PYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(2(23dimethoxyphenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(3CHLORO4METHOXYPHENYL)(2(23DIMETHOXYPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
5(23DIMETHOXYPHENYL)1(2(DIMETHYLAMINO)ETHYL)4((3CHLORO4METHOXYPHENYL)CARBONYL)3HYDROXY3PYRROLIN2ONE
636988233
C(NH+)(C)CCN1C(C(=C(C2=CC(=C(C=C2)OC)Cl)(O))C(=O)C1=O)C3=C(C(=CC=C3)OC)OC
COc1c(OC)cccc1C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(c(c1)Cl)OC)(O)
InChI=1SC24H27ClN2O6c126(2)11122720(1576818(324)23(15)335)19(22(29)24(27)30)21(28)1491017(313)16(25)1314h610132028H1112H215H3b2119+
MFCD18247351
ZINC000102857522
ZINC000102857526
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