Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl)[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL038408
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)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 C32H36N2O4 MW 512.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36N2O4/c1-6-7-17-38-26-15-12-24(18-21(26)2)29(35)27-28(23-10-13-25(14-11-23)32(3,4)5)34(31(37)30(27)36)20-22-9-8-16-33-19-22/h8-16,18-19,28,35H,6-7,17,20H2,1-5H3/b29-27+InChIKey
XWQGVZRNAYDKNQ-ORIPQNMZSA-NSynonyms
497077-17-5(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)5(4TERTBUTYLPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(4BUTOXY3METHYLPHENYL)(2(4TERTBUTYLPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(4butoxy3methylphenyl)(2(4tertbutylphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
497077175
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)C(C)(C)C)O)C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)Cc1ccc(nH+)c1)(O)
InChI=1SC32H36N2O4c167173826151224(1821(26)2)29(35)2728(23101325(141123)32(34)5)34(31(37)30(27)36)20229816331922h81618192835H671720H215H3b2927+
MFCD18247619
ZINC000102861108
ZINC000102861111
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.