Vitas-M small molecule compound
(E)-[4-(benzyloxy)phenyl][4,5-dioxo-2-phenyl-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK567987
SMILES O=C1C(=O)/C(=C(\c2ccc(cc2)OCc2ccccc2)/[O-])/C(N1Cc1ccc[nH+]c1)c1ccccc1
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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 C30H24N2O4 MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24N2O4/c33-28(24-13-15-25(16-14-24)36-20-21-8-3-1-4-9-21)26-27(23-11-5-2-6-12-23)32(30(35)29(26)34)19-22-10-7-17-31-18-22/h1-18,27,33H,19-20H2/b28-26+InChIKey
FKBLRXNRXMTXJQ-BYCLXTJYSA-NSynonyms
(4E)4(HYDROXY(4PHENYLMETHOXYPHENYL)METHYLIDENE)5PHENYL1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(4(benzyloxy)phenyl)(45dioxo2phenyl1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
(E)(45DIOXO2PHENYL1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(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=CC=CC=C5)(O)
InChI=1SC30H24N2O4c3328(24131525(161424)3620218314921)2627(23115261223)32(30(35)29(26)34)192210717311822h1182733H1920H2b2826+
MFCD18245192
O=C1C(=O)C(=C(c2ccc(cc2)OCc2ccccc2)(O))C(N1Cc1ccc(nH+)c1)c1ccccc1
ZINC000102550115
ZINC000102550122
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