Vitas-M small molecule compound
ethyl 2-[3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(phenylsulfonyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK516520
SMILES CCOC(=O)c1sc(nc1C)N1C(=O)C(=C(C1c1cccc(c1)[N+](=O)[O-])S(=O)(=O)c1ccccc1)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 C23H19N3O8S2 MW 529.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O8S2/c1-3-34-22(29)19-13(2)24-23(35-19)25-17(14-8-7-9-15(12-14)26(30)31)20(18(27)21(25)28)36(32,33)16-10-5-4-6-11-16/h4-12,17,27H,3H2,1-2H3InChIKey
GTRORLSOYPCTMS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C2=O)O)S(=O)(=O)C3=CC=CC=C3)C4=CC(=CC=C4)(N+)(=O)(O))C
CCOC(=O)c1sc(nc1C)N1C(=O)C(=C(C1c1cccc(c1)(N+)(=O)(O))S(=O)(=O)c1ccccc1)O
ethyl2(3(benzenesulfonyl)4hydroxy2(3nitrophenyl)5oxo2Hpyrrol1yl)4methyl13thiazole5carboxylate
ethyl2(3hydroxy5(3nitrophenyl)2oxo4(phenylsulfonyl)25dihydro1Hpyrrol1yl)4methyl13thiazole5carboxylate
InChI=1SC23H19N3O8S2c133422(29)1913(2)2423(3519)2517(1487915(1214)26(30)31)20(18(27)21(25)28)36(3233)16105461116h4121727H3H212H3
MFCD06645693
ZINC000098047943
ZINC000098047944
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