Vitas-M small molecule compound
(E)-[4-(benzyloxy)-3-methylphenyl][2-(4-fluorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL044060
SMILES Fc1ccc(cc1)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)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 C31H25FN2O4 MW 508.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25FN2O4/c1-20-16-24(11-14-26(20)38-19-21-6-3-2-4-7-21)29(35)27-28(23-9-12-25(32)13-10-23)34(31(37)30(27)36)18-22-8-5-15-33-17-22/h2-17,28,35H,18-19H2,1H3/b29-27+InChIKey
QTEBLXHFVRNGBD-ORIPQNMZSA-NSynonyms
500147-76-2(4E)5(4FLUOROPHENYL)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4FLUOROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(2(4fluorophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
500147762
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)F)O)OCC5=CC=CC=C5
Fc1ccc(cc1)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OCc1ccccc1)(O)
InChI=1SC31H25FN2O4c1201624(111426(20)3819216324721)29(35)2728(2391225(32)131023)34(31(37)30(27)36)18228515331722h2172835H1819H21H3b2927+
MFCD18248341
ZINC000102873990
ZINC000102873992
Check stock
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Check stock on Vitas-MAvailable files
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