Vitas-M small molecule compound
ethyl 2-[3-hydroxy-5-(4-nitrophenyl)-2-oxo-4-(thiophen-2-ylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK897118
SMILES CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)c1cccs1
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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 C22H17N3O7S2 MW 499.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O7S2/c1-3-32-21(29)19-11(2)23-22(34-19)24-16(12-6-8-13(9-7-12)25(30)31)15(18(27)20(24)28)17(26)14-5-4-10-33-14/h4-10,16,27H,3H2,1-2H3InChIKey
PQHAZEADUJQLJW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=C(C=C4)(N+)(=O)(O))C
CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)(N+)(=O)(O))C(=C(C1=O)O)C(=O)c1cccs1
ETHYL2(3HYDROXY5(4NITROPHENYL)2OXO4(2THIENYLCARBONYL)(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
ethyl2(3hydroxy5(4nitrophenyl)2oxo4(thiophen2ylcarbonyl)25dihydro1Hpyrrol1yl)4methyl13thiazole5carboxylate
ETHYL2(4HYDROXY2(4NITROPHENYL)5OXO3(THIOPHENE2CARBONYL)2HPYRROL1YL)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC22H17N3O7S2c133221(29)1911(2)2322(3419)2416(126813(9712)25(30)31)15(18(27)20(24)28)17(26)1454103314h4101627H3H212H3
MFCD03497295
ZINC000008779305
ZINC000008779306
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