Vitas-M small molecule compound
(E)-[4-(benzyloxy)-2-methylphenyl][2-(4-hydroxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK562770
SMILES Oc1ccc(cc1)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OCc1ccccc1)/[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 C31H26N2O5 MW 506.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O5/c1-20-16-25(38-19-21-6-3-2-4-7-21)13-14-26(20)29(35)27-28(23-9-11-24(34)12-10-23)33(31(37)30(27)36)18-22-8-5-15-32-17-22/h2-17,28,34-35H,18-19H2,1H3/b29-27+InChIKey
WQTXMWUKACKIRG-ORIPQNMZSA-NSynonyms
(4E)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)5(4HYDROXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4HYDROXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)2methylphenyl)(2(4hydroxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
4(4(BENZYLOXY)2METHYLBENZOYL)3HYDROXY5(4HYDROXYPHENYL)1(PYRIDIN3YLMETHYL)1HPYRROL2(5H)ONE
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=C(C=C5)O)O
InChI=1SC31H26N2O5c1201625(3819216324721)131426(20)29(35)2728(2391124(34)121023)33(31(37)30(27)36)18228515321722h217283435H1819H21H3b2927+
MFCD18244123
Oc1ccc(cc1)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(cc1C)OCc1ccccc1)(O)
ZINC000102515351
ZINC000102515361
Check stock
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