Vitas-M small molecule compound

(E)-[4-(benzyloxy)phenyl]{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate

Catalog ID
STK567911
SMILES C[NH+](CCN1C(c2cccs2)/C(=C(/c2ccc(cc2)OCc2ccccc2)\[O-])/C(=O)C1=O)C

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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 C26H26N2O4S MW 462.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O4S/c1-27(2)14-15-28-23(21-9-6-16-33-21)22(25(30)26(28)31)24(29)19-10-12-20(13-11-19)32-17-18-7-4-3-5-8-18/h3-13,16,23,29H,14-15,17H2,1-2H3/b24-22+
InChIKey
JRPISBKELAHKPZ-ZNTNEXAZSA-N
Synonyms
845662-33-1
(4E)1(2(dimethylamino)ethyl)4(hydroxy(4phenylmethoxyphenyl)methylidene)5thiophen2ylpyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(4PHENYLMETHOXYPHENYL)METHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)(4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)phenyl)(1(2(dimethylammonio)ethyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)methanolate
845662331
C(NH+)(CCN1C(c2cccs2)C(=C(c2ccc(cc2)OCc2ccccc2)(O))C(=O)C1=O)C
CN(C)CCN1C(C(=C(C2=CC=C(C=C2)OCC3=CC=CC=C3)O)C(=O)C1=O)C4=CC=CS4
InChI=1SC26H26N2O4Sc127(2)14152823(2196163321)22(25(30)26(28)31)24(29)19101220(131119)3217187435818h313162329H141517H212H3b2422+
MFCD18245184
ZINC000009350911
ZINC000009350912

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Available files

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