Vitas-M small molecule compound
(E)-[2-(3-hydroxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STL036952
SMILES Oc1cccc(c1)C1/C(=C(/c2ccc(cc2)OCc2ccccc2C)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1
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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/c1-20-6-2-3-8-24(20)19-38-26-13-11-22(12-14-26)29(35)27-28(23-9-4-10-25(34)16-23)33(31(37)30(27)36)18-21-7-5-15-32-17-21/h2-17,28,34-35H,18-19H2,1H3/b29-27+InChIKey
UXHMNCOZXHIUMS-ORIPQNMZSA-NSynonyms
578721-64-9(4E)4(HYDROXY(4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)5(3HYDROXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3HYDROXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4((2METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
(E)(2(3hydroxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4((2methylbenzyl)oxy)phenyl)methanolate
578721649
CC1=CC=CC=C1COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC4=C(NH+)=CC=C4)C5=CC(=CC=C5)O)(O)
InChI=1SC31H26N2O5c120623824(20)193826131122(121426)29(35)2728(23941025(34)1623)33(31(37)30(27)36)18217515321721h217283435H1819H21H3b2927+
MFCD18247330
Oc1cccc(c1)C1C(=C(c2ccc(cc2)OCc2ccccc2C)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
ZINC000102857592
ZINC000102857595
Check stock
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Check stock on Vitas-MAvailable files
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