Vitas-M small molecule compound

ethyl 2-{3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate

Catalog ID
STK897171
SMILES CCOC(=O)c1sc(nc1C)N1C(c2cccc(c2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)c1ccc(o1)C

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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 C23H19N3O8S MW 497.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O8S/c1-4-33-22(30)20-12(3)24-23(35-20)25-17(13-6-5-7-14(10-13)26(31)32)16(19(28)21(25)29)18(27)15-9-8-11(2)34-15/h5-10,17,28H,4H2,1-3H3
InChIKey
UDVMMVHZKNFSBU-UHFFFAOYSA-N
Synonyms
433256-49-6
433256496
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=C(O3)C)C4=CC(=CC=C4)(N+)(=O)(O))C
CCOC(=O)c1sc(nc1C)N1C(c2cccc(c2)(N+)(=O)(O))C(=C(C1=O)O)C(=O)c1ccc(o1)C
ETHYL2(3HYDROXY4((5METHYL(2FURYL))CARBONYL)5(3NITROPHENYL)2OXO(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
ethyl2(3hydroxy4((5methylfuran2yl)carbonyl)5(3nitrophenyl)2oxo25dihydro1Hpyrrol1yl)4methyl13thiazole5carboxylate
ethyl2(4hydroxy3(5methylfuran2carbonyl)2(3nitrophenyl)5oxo2Hpyrrol1yl)4methyl13thiazole5carboxylate
InChI=1SC23H19N3O8Sc143322(30)2012(3)2423(3520)2517(1365714(1013)26(31)32)16(19(28)21(25)29)18(27)159811(2)3415h5101728H4H213H3
MFCD03497325
ZINC000008779339
ZINC000008779340

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Available files

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