Vitas-M small molecule compound
(E)-(3,4-dimethoxyphenyl)[2-(2-fluorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL149013
SMILES COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)Cc1ccc[nH+]c1)/[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 C25H21FN2O5 MW 448.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FN2O5/c1-32-19-10-9-16(12-20(19)33-2)23(29)21-22(17-7-3-4-8-18(17)26)28(25(31)24(21)30)14-15-6-5-11-27-13-15/h3-13,22,29H,14H2,1-2H3/b23-21+InChIKey
IWJBMQOUYCKYQD-XTQSDGFTSA-NSynonyms
636989-54-3(4E)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)5(2FLUOROPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(4Z)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)5(2FLUOROPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(34DIMETHOXYPHENYL)(2(2FLUOROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(34dimethoxyphenyl)(2(2fluorophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
4((34DIMETHOXYPHENYL)CARBONYL)5(2FLUOROPHENYL)3HYDROXY1(3PYRIDYLMETHYL)3PYRROLIN2ONE
4(34DIMETHOXYBENZOYL)5(2FLUOROPHENYL)3HYDROXY1(3PYRIDINYLMETHYL)15DIHYDRO2HPYRROL2ONE
636989543
COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=CC=C4F)O)OC
COc1ccc(cc1OC)C(=C1C(=O)C(=O)N(C1c1ccccc1F)Cc1ccc(nH+)c1)(O)
InChI=1SC25H21FN2O5c1321910916(1220(19)332)23(29)2122(17734818(17)26)28(25(31)24(21)30)14156511271315h3132229H14H212H3b2321+
MFCD20755519
ZINC000102928611
ZINC000102928614
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