Vitas-M small molecule compound

(E)-{1-[3-(dimethylammonio)propyl]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate

Catalog ID
STL148093
SMILES COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1OC)CCC[NH+](C)C)/[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 C25H30N2O5 MW 438.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O5/c1-16-15-17(31-4)11-12-18(16)23(28)21-22(19-9-6-7-10-20(19)32-5)27(25(30)24(21)29)14-8-13-26(2)3/h6-7,9-12,15,22,28H,8,13-14H2,1-5H3/b23-21+
InChIKey
JWXFYVXOBKFIJH-XTQSDGFTSA-N
Synonyms
383903-34-2
(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)5(2METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(2methoxyphenyl)45dioxopyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(2METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
383903342
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC=CC=C3OC)(O)
COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1ccccc1OC)CCC(NH+)(C)C)(O)
InChI=1SC25H30N2O5c1161517(314)111218(16)23(28)2122(199671020(19)325)27(25(30)24(21)29)1481326(2)3h67912152228H81314H215H3b2321+
MFCD20755325
ZINC000102925873
ZINC000102925875

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Available files

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