Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl[2-(2-fluorophenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK594082
SMILES [O-]/C(=C\1/C(=O)C(=O)N(C1c1ccccc1F)Cc1cc[nH+]cc1)/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/c26-18-4-2-1-3-17(18)22-21(23(29)16-5-6-19-20(13-16)33-12-11-32-19)24(30)25(31)28(22)14-15-7-9-27-10-8-15/h1-10,13,22,29H,11-12,14H2/b23-21+InChIKey
BFXIJQULXBQDTO-XTQSDGFTSA-NSynonyms
620566-56-5(E)23dihydro14benzodioxin6yl(2(2fluorophenyl)45dioxo1(pyridin1ium4ylmethyl)pyrrolidin3ylidene)methanolate
(E)23dihydro14benzodioxin6yl(2(2fluorophenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)methanolate
(O)C(=C1C(=O)C(=O)N(C1c1ccccc1F)Cc1cc(nH+)cc1)c1ccc2c(c1)OCCO2
620566565
C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=(NH+)C=C4)C5=CC=CC=C5F)(O)
InChI=1SC25H19FN2O5c2618421317(18)2221(23(29)16561920(1316)3312113219)24(30)25(31)28(22)1415792710815h110132229H111214H2b2321+
MFCD07209957
ZINC000100610319
ZINC000100610323
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