Vitas-M small molecule compound
(E)-(4-methoxy-3-methylphenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK558809
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CC[NH+]1CCOCC1)/[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 C23H26N2O5S MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O5S/c1-15-14-16(5-6-17(15)29-2)21(26)19-20(18-4-3-13-31-18)25(23(28)22(19)27)8-7-24-9-11-30-12-10-24/h3-6,13-14,20,26H,7-12H2,1-2H3/b21-19+InChIKey
XCVCKFYCNCKYLJ-XUTLUUPISA-NSynonyms
(4E)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(4methoxy3methylphenyl)(1(2(morpholin4ium4yl)ethyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)methanolate
(E)(4METHOXY3METHYLPHENYL)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)METHANOLATE
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=CS4)O)OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccs1)CC(NH+)1CCOCC1)(O)
InChI=1SC23H26N2O5Sc1151416(5617(15)292)21(26)1920(1843133118)25(23(28)22(19)27)872491130121024h3613142026H712H212H3b2119+
MFCD18243116
ZINC000102482453
ZINC000102482461
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