Vitas-M small molecule compound

(E)-(4-butoxy-2-methylphenyl)[2-(4-ethylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate

Catalog ID
STL037824
SMILES CCCCOc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)CC)Cc1ccc[nH+]c1)/[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 C30H32N2O4 MW 484.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O4/c1-4-6-16-36-24-13-14-25(20(3)17-24)28(33)26-27(23-11-9-21(5-2)10-12-23)32(30(35)29(26)34)19-22-8-7-15-31-18-22/h7-15,17-18,27,33H,4-6,16,19H2,1-3H3/b28-26+
InChIKey
AUBCSURWDNQMNS-BYCLXTJYSA-N
Synonyms
488853-03-8
(4E)4((4BUTOXY2METHYLPHENYL)HYDROXYMETHYLIDENE)5(4ETHYLPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(4BUTOXY2METHYLPHENYL)(2(4ETHYLPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(4butoxy2methylphenyl)(2(4ethylphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
4(4BUTOXY2METHYLBENZOYL)5(4ETHYLPHENYL)3HYDROXY1(3PYRIDINYLMETHYL)15DIHYDRO2HPYRROL2ONE
488853038
CCCCOC1=CC(=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=C(C=C4)CC)(O))C
CCCCOc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)CC)Cc1ccc(nH+)c1)(O)
InChI=1SC30H32N2O4c146163624131425(20(3)1724)28(33)2627(2311921(52)101223)32(30(35)29(26)34)19228715311822h71517182733H461619H213H3b2826+
MFCD18247497
ZINC000102860358
ZINC000102860362

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Available files

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