Vitas-M small molecule compound

(E)-(4-chlorophenyl){2-(4-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STK565856
SMILES COc1ccc(cc1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Cl)/[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 C25H27ClN2O5 MW 470.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClN2O5/c1-32-20-9-5-17(6-10-20)22-21(23(29)18-3-7-19(26)8-4-18)24(30)25(31)28(22)12-2-11-27-13-15-33-16-14-27/h3-10,22,29H,2,11-16H2,1H3/b23-21+
InChIKey
UBCPVLRXFWHVFR-XTQSDGFTSA-N
Synonyms

(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)5(4METHOXYPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(4chlorophenyl)(2(4methoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4CHLOROPHENYL)(2(4METHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
COC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2CCCN4CCOCC4
COc1ccc(cc1)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(cc1)Cl)(O)
InChI=1SC25H27ClN2O5c132209517(61020)2221(23(29)183719(26)8418)24(30)25(31)28(22)1221127131533161427h3102229H21116H21H3b2321+
MFCD18244883
ZINC000008896460
ZINC000102537821

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Available files

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