Vitas-M small molecule compound

(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate

Catalog ID
STL045136
SMILES COc1cccc(c1)/C(=C\1/C(c2cc(OC)c(c(c2)OC)OC)N(C(=O)C1=O)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 C26H32N2O7 MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O7/c1-27(2)11-8-12-28-22(17-14-19(33-4)25(35-6)20(15-17)34-5)21(24(30)26(28)31)23(29)16-9-7-10-18(13-16)32-3/h7,9-10,13-15,22,29H,8,11-12H2,1-6H3/b23-21+
InChIKey
ZASUOJUXGVCOPD-XTQSDGFTSA-N
Synonyms
608498-10-8
(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(4Z)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)(3methoxyphenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)(3METHOXYPHENYL)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)3HYDROXY4((3METHOXYPHENYL)CARBONYL)5(345TRIMETHOXYPHENYL)3PYRROLIN2ONE
608498108
CN(C)CCCN1C(C(=C(C2=CC(=CC=C2)OC)O)C(=O)C1=O)C3=CC(=C(C(=C3)OC)OC)OC
COc1cccc(c1)C(=C1C(c2cc(OC)c(c(c2)OC)OC)N(C(=O)C1=O)CCC(NH+)(C)C)(O)
InChI=1SC26H32N2O7c127(2)118122822(171419(334)25(356)20(1517)345)21(24(30)26(28)31)23(29)16971018(1316)323h791013152229H81112H216H3b2321+
MFCD18248571
ZINC000009186777
ZINC000009273846

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Available files

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