Vitas-M small molecule compound

(E)-(4-butoxyphenyl){1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate

Catalog ID
STL051837
SMILES CCCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CC[NH+](CC)CC)/[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 C26H33N3O4 MW 451.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N3O4/c1-4-7-17-33-21-12-10-19(11-13-21)24(30)22-23(20-9-8-14-27-18-20)29(26(32)25(22)31)16-15-28(5-2)6-3/h8-14,18,23,30H,4-7,15-17H2,1-3H3/b24-22+
InChIKey
PRVFZHWYSJCNMJ-ZNTNEXAZSA-N
Synonyms
843670-05-3
(4E)4((4BUTOXYPHENYL)HYDROXYMETHYLIDENE)1(2DIETHYLAMINOETHYL)5PYRIDIN3YLPYRROLIDINE23DIONE
(E)(4butoxyphenyl)(1(2(diethylammonio)ethyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)methanolate
(E)(4butoxyphenyl)(1(2(diethylazaniumyl)ethyl)45dioxo2pyridin3ylpyrrolidin3ylidene)methanolate
843670053
CCCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(CC)CC)C3=CN=CC=C3)(O)
CCCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccnc1)CC(NH+)(CC)CC)(O)
InChI=1SC26H33N3O4c147173321121019(111321)24(30)2223(209814271820)29(26(32)25(22)31)161528(52)63h814182330H471517H213H3b2422+
MFCD07207579
ZINC000102889202
ZINC000102889203

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Available files

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