Vitas-M small molecule compound

(E)-(4-methoxy-2-methylphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene}methanolate

Catalog ID
STL150256
SMILES COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)CCC[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 C32H34N2O6 MW 542.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O6/c1-22-20-25(38-2)12-13-27(22)30(35)28-29(23-8-6-11-26(21-23)40-24-9-4-3-5-10-24)34(32(37)31(28)36)15-7-14-33-16-18-39-19-17-33/h3-6,8-13,20-21,29,35H,7,14-19H2,1-2H3/b30-28+
InChIKey
KJLATQVQXBAJBM-SJCQXOIGSA-N
Synonyms
384351-91-1
(4E)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(3PHENOXYPHENYL)PYRROLIDINE23DIONE
(E)(4methoxy2methylphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(3phenoxyphenyl)pyrrolidin3ylidene)methanolate
(E)(4METHOXY2METHYLPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(3PHENOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
384351911
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC(=CC=C4)OC5=CC=CC=C5)(O)
COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)CCC(NH+)1CCOCC1)(O)
InChI=1SC32H34N2O6c1222025(382)121327(22)30(35)2829(23861126(2123)402494351024)34(32(37)31(28)36)1571433161839191733h3681320212935H71419H212H3b3028+
MFCD20755784
ZINC000102930289
ZINC000102930292

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Available files

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