Vitas-M small molecule compound

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

Catalog ID
STK559734
SMILES CCCCOc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)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 C28H35N3O5 MW 493.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O5/c1-3-4-16-36-22-6-7-23(20(2)19-22)26(32)24-25(21-8-10-29-11-9-21)31(28(34)27(24)33)13-5-12-30-14-17-35-18-15-30/h6-11,19,25,32H,3-5,12-18H2,1-2H3/b26-24+
InChIKey
HXFUENUJEMBOFJ-SHHOIMCASA-N
Synonyms
500195-68-6
(4E)4((4BUTOXY2METHYLPHENYL)HYDROXYMETHYLIDENE)1(3MORPHOLIN4YLPROPYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(4butoxy2methylphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)methanolate
(E)(4BUTOXY2METHYLPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHANOLATE
500195686
CCCCOC1=CC(=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=NC=C4)O)C
CCCCOc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1ccncc1)CCC(NH+)1CCOCC1)(O)
InChI=1SC28H35N3O5c1341636226723(20(2)1922)26(32)2425(218102911921)31(28(34)27(24)33)1351230141735181530h611192532H351218H212H3b2624+
MFCD18243351
ZINC000102489862
ZINC000102489872

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Available files

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