Vitas-M small molecule compound
methyl 2-[3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(thiophen-2-ylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK897026
SMILES COC(=O)c1sc(nc1C)N1C(c2cccc(c2)[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 C21H15N3O7S2 MW 485.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O7S2/c1-10-18(20(28)31-2)33-21(22-10)23-15(11-5-3-6-12(9-11)24(29)30)14(17(26)19(23)27)16(25)13-7-4-8-32-13/h3-9,15,26H,1-2H3InChIKey
ASTVTXHJNRLUFI-UHFFFAOYSA-NSynonyms
381706-18-9381706189
CC1=C(SC(=N1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OC
COC(=O)c1sc(nc1C)N1C(c2cccc(c2)(N+)(=O)(O))C(=C(C1=O)O)C(=O)c1cccs1
InChI=1SC21H15N3O7S2c11018(20(28)312)3321(2210)2315(1153612(911)24(29)30)14(17(26)19(23)27)16(25)137483213h391526H12H3
METHYL2(3HYDROXY5(3NITROPHENYL)2OXO4(2THIENYLCARBONYL)(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
methyl2(3hydroxy5(3nitrophenyl)2oxo4(thiophen2ylcarbonyl)25dihydro1Hpyrrol1yl)4methyl13thiazole5carboxylate
methyl2(3hydroxy5(3nitrophenyl)2oxo4(thiophene2carbonyl)25dihydro1Hpyrrol1yl)4methylthiazole5carboxylate
METHYL2(4HYDROXY2(3NITROPHENYL)5OXO3(THIOPHENE2CARBONYL)2HPYRROL1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD02997790
ZINC000008837975
ZINC000008837976
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.