Vitas-M small molecule compound
(E)-[4-(benzyloxy)phenyl]{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL054734
SMILES CC[NH+](CCN1C(c2cccs2)/C(=C(/c2ccc(cc2)OCc2ccccc2)\[O-])/C(=O)C1=O)CC
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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 C28H30N2O4S MW 490.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O4S/c1-3-29(4-2)16-17-30-25(23-11-8-18-35-23)24(27(32)28(30)33)26(31)21-12-14-22(15-13-21)34-19-20-9-6-5-7-10-20/h5-15,18,25,31H,3-4,16-17,19H2,1-2H3/b26-24+InChIKey
LXEZCXUBSFPYDC-SHHOIMCASA-NSynonyms
847858-07-5(4E)1(2DIETHYLAMINOETHYL)4(HYDROXY(4PHENYLMETHOXYPHENYL)METHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)(4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)phenyl)(1(2(diethylammonio)ethyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)methanolate
847858075
CC(NH+)(CC)CCN1C(C(=C(C2=CC=C(C=C2)OCC3=CC=CC=C3)(O))C(=O)C1=O)C4=CC=CS4
CC(NH+)(CCN1C(c2cccs2)C(=C(c2ccc(cc2)OCc2ccccc2)(O))C(=O)C1=O)CC
InChI=1SC28H30N2O4Sc1329(42)16173025(23118183523)24(27(32)28(30)33)26(31)21121422(151321)34192096571020h515182531H34161719H212H3b2624+
MFCD18249628
ZINC000009374978
ZINC000009374982
Check stock
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