Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl){1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL046084
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)CC[NH+](C)C)/[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 C26H31ClN2O7 MW 518.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31ClN2O7/c1-7-36-18-9-8-15(12-17(18)27)23(30)21-22(29(11-10-28(2)3)26(32)24(21)31)16-13-19(33-4)25(35-6)20(14-16)34-5/h8-9,12-14,22,30H,7,10-11H2,1-6H3/b23-21+InChIKey
FLSAEHRKCCBVJV-XTQSDGFTSA-NSynonyms
615278-72-3(4E)4((3chloro4ethoxyphenyl)hydroxymethylidene)1(2(dimethylamino)ethyl)5(345trimethoxyphenyl)pyrrolidine23dione
(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(2DIMETHYLAMINOETHYL)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(3chloro4ethoxyphenyl)(1(2(dimethylammonio)ethyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)methanolate
(E)(3CHLORO4ETHOXYPHENYL)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
1(2(DIMETHYLAMINO)ETHYL)4((3CHLORO4ETHOXYPHENYL)CARBONYL)3HYDROXY5(345TRIMETHOXYPHENYL)3PYRROLIN2ONE
615278723
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC(=C(C(=C3)OC)OC)OC)O)Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)CC(NH+)(C)C)(O)
InChI=1SC26H31ClN2O7c1736189815(1217(18)27)23(30)2122(29(111028(2)3)26(32)24(21)31)161319(334)25(356)20(1416)345h8912142230H71011H216H3b2321+
MFCD18248778
ZINC000102880034
ZINC000102880036
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