Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl[2-(2-fluorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK562630
SMILES [O-]/C(=C\1/C(=O)C(=O)N(C1c1ccccc1F)Cc1ccc[nH+]c1)/c1ccc2c(c1)OCCO2
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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 C25H19FN2O5 MW 446.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19FN2O5/c26-18-6-2-1-5-17(18)22-21(23(29)16-7-8-19-20(12-16)33-11-10-32-19)24(30)25(31)28(22)14-15-4-3-9-27-13-15/h1-9,12-13,22,29H,10-11,14H2/b23-21+InChIKey
KBLQTGOWTKPALF-XTQSDGFTSA-NSynonyms
618412-46-7(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(2FLUOROPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)23DIHYDRO14BENZODIOXIN6YL(2(2FLUOROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)23dihydro14benzodioxin6yl(2(2fluorophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
(O)C(=C1C(=O)C(=O)N(C1c1ccccc1F)Cc1ccc(nH+)c1)c1ccc2c(c1)OCCO2
618412467
C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=CC=C5F)O
InChI=1SC25H19FN2O5c2618621517(18)2221(23(29)16781920(1216)3311103219)24(30)25(31)28(22)1415439271315h1912132229H101114H2b2321+
MFCD18244082
ZINC000102514088
ZINC000102514097
Check stock
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Check stock on Vitas-MAvailable files
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