Vitas-M small molecule compound
(4-{(E)-[6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-2(3H)-ylidene]methyl}phenoxy)acetate
Catalog ID
STL038952
SMILES CCOC(=O)C1=C(C)[NH+]=c2n(C1c1ccc(cc1)F)c(=O)/c(=C\c1ccc(cc1)OCC(=O)[O-])/s2
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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 C25H21FN2O6S MW 496.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FN2O6S/c1-3-33-24(32)21-14(2)27-25-28(22(21)16-6-8-17(26)9-7-16)23(31)19(35-25)12-15-4-10-18(11-5-15)34-13-20(29)30/h4-12,22H,3,13H2,1-2H3,(H,29,30)/b19-12+InChIKey
CSPRGWWRNRXUMD-XDHOZWIPSA-NSynonyms
371119-76-5(4((E)(6(ethoxycarbonyl)5(4fluorophenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidin8ium2(3H)ylidene)methyl)phenoxy)acetate
2(4((E)(6ethoxycarbonyl5(4fluorophenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidin2ylidene)methyl)phenoxy)aceticacid
371119765
CCOC(=O)C1=C(C)(NH+)=c2n(C1c1ccc(cc1)F)c(=O)c(=Cc1ccc(cc1)OCC(=O)(O))s2
InChI=1SC25H21FN2O6Sc133324(32)2114(2)272528(22(21)166817(26)9716)23(31)19(3525)121541018(11515)341320(29)30h41222H313H212H3(H2930)b1912+
MFCD02609450
ZINC000009007611
ZINC000009007612
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