Vitas-M small molecule compound

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

Catalog ID
STK563193
SMILES COc1cccc(c1)/C(=C\1/C(c2ccc(o2)C)N(C(=O)C1=O)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 C24H28N2O6 MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O6/c1-16-7-8-19(32-16)21-20(22(27)17-5-3-6-18(15-17)30-2)23(28)24(29)26(21)10-4-9-25-11-13-31-14-12-25/h3,5-8,15,21,27H,4,9-14H2,1-2H3/b22-20+
InChIKey
RPFVTAGCUVIVBU-LSDHQDQOSA-N
Synonyms
608504-69-4
(4E)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)5(5METHYLFURAN2YL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(3methoxyphenyl)(2(5methylfuran2yl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(3METHOXYPHENYL)(2(5METHYLFURAN2YL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
3HYDROXY4(3METHOXYBENZOYL)5(5METHYL2FURYL)1(3(4MORPHOLINYL)PROPYL)15DIHYDRO2HPYRROL2ONE
608504694
CC1=CC=C(O1)C2C(=C(C3=CC(=CC=C3)OC)O)C(=O)C(=O)N2CCCN4CCOCC4
COc1cccc(c1)C(=C1C(c2ccc(o2)C)N(C(=O)C1=O)CCC(NH+)1CCOCC1)(O)
InChI=1SC24H28N2O6c1167819(3216)2120(22(27)1753618(1517)302)23(28)24(29)26(21)104925111331141225h358152127H4914H212H3b2220+
MFCD18244237
ZINC000102518545
ZINC000102518553

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Available files

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