Vitas-M small molecule compound
(E)-[4-(benzyloxy)phenyl][4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-3-yl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK567768
SMILES O=C1C(=O)/C(=C(\c2ccc(cc2)OCc2ccccc2)/[O-])/C(N1Cc1ccc[nH+]c1)c1cccnc1
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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 C29H23N3O4 MW 477.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O4/c33-27(22-10-12-24(13-11-22)36-19-20-6-2-1-3-7-20)25-26(23-9-5-15-31-17-23)32(29(35)28(25)34)18-21-8-4-14-30-16-21/h1-17,26,33H,18-19H2/b27-25+InChIKey
XBTFJFSMKKGYGC-IMVLJIQESA-NSynonyms
(4E)4(HYDROXY(4PHENYLMETHOXYPHENYL)METHYLIDENE)5PYRIDIN3YL1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(4(benzyloxy)phenyl)(45dioxo1(pyridinium3ylmethyl)2(pyridin3yl)pyrrolidin3ylidene)methanolate
(E)(45DIOXO1(PYRIDIN1IUM3YLMETHYL)2PYRIDIN3YLPYRROLIDIN3YLIDENE)(4PHENYLMETHOXYPHENYL)METHANOLATE
C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC4=C(NH+)=CC=C4)C5=CN=CC=C5)(O)
InChI=1SC29H23N3O4c3327(22101224(131122)3619206213720)2526(239515311723)32(29(35)28(25)34)18218414301621h1172633H1819H2b2725+
MFCD18245177
O=C1C(=O)C(=C(c2ccc(cc2)OCc2ccccc2)(O))C(N1Cc1ccc(nH+)c1)c1cccnc1
ZINC000102549206
ZINC000102549212
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