Vitas-M small molecule compound
(E)-(4-butoxyphenyl)[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-3-yl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL053188
SMILES CCCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)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 C26H25N3O4 MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4/c1-2-3-14-33-21-10-8-19(9-11-21)24(30)22-23(20-7-5-13-28-16-20)29(26(32)25(22)31)17-18-6-4-12-27-15-18/h4-13,15-16,23,30H,2-3,14,17H2,1H3/b24-22+InChIKey
BGRIRFNPAOZWPU-ZNTNEXAZSA-NSynonyms
(4E)4((4BUTOXYPHENYL)HYDROXYMETHYLIDENE)5PYRIDIN3YL1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(4BUTOXYPHENYL)(45DIOXO1(PYRIDIN1IUM3YLMETHYL)2PYRIDIN3YLPYRROLIDIN3YLIDENE)METHANOLATE
(E)(4butoxyphenyl)(45dioxo1(pyridinium3ylmethyl)2(pyridin3yl)pyrrolidin3ylidene)methanolate
CCCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CN=CC=C4)(O)
CCCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccnc1)Cc1ccc(nH+)c1)(O)
InChI=1SC26H25N3O4c12314332110819(91121)24(30)2223(207513281620)29(26(32)25(22)31)17186412271518h41315162330H231417H21H3b2422+
MFCD18249522
ZINC000102891080
ZINC000102891082
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