Vitas-M small molecule compound

(E)-(3-chloro-4-ethoxyphenyl){2-(2,5-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STK564655
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)ccc1OC)CCC[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 C26H31ClN2O6 MW 502.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31ClN2O6/c1-6-35-21-10-8-16(14-19(21)27)24(30)22-23(18-15-17(33-4)9-11-20(18)34-5)29(26(32)25(22)31)13-7-12-28(2)3/h8-11,14-15,23,30H,6-7,12-13H2,1-5H3/b24-22+
InChIKey
NEPGWSYHOSFBNM-ZNTNEXAZSA-N
Synonyms
636988-61-9
(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)5(25DIMETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)PYRROLIDINE23DIONE
(E)(3chloro4ethoxyphenyl)(2(25dimethoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(3CHLORO4ETHOXYPHENYL)(2(25DIMETHOXYPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
5(25DIMETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)4((3CHLORO4ETHOXYPHENYL)CARBONYL)3HYDROXY3PYRROLIN2ONE
636988619
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=C(C=CC(=C3)OC)OC)(O))Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1cc(OC)ccc1OC)CCC(NH+)(C)C)(O)
InChI=1SC26H31ClN2O6c16352110816(1419(21)27)24(30)2223(181517(334)91120(18)345)29(26(32)25(22)31)1371228(2)3h81114152330H671213H215H3b2422+
MFCD18244586
ZINC000102529215
ZINC000102529223

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Available files

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