Vitas-M small molecule compound

ethyl 2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK075401
SMILES CCOC(=O)C1=C(SCC1=O)Nc1ccc(cc1)[N+](=O)[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 C13H12N2O5S MW 308.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N2O5S/c1-2-20-13(17)11-10(16)7-21-12(11)14-8-3-5-9(6-4-8)15(18)19/h3-6,14H,2,7H2,1H3
InChIKey
HYQUHMKLBMSXFZ-UHFFFAOYSA-N
Synonyms
364381-12-4
364381124
CCOC(=O)C1=C(SCC1=O)Nc1ccc(cc1)(N+)(=O)(O)
CCOC(=O)C1=C(SCC1=O)NC2=CC=C(C=C2)(N+)(=O)(O)
ETHYL2((4NITROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL2(4NITROANILINO)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
ETHYL2(4NITROANILINO)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC13H12N2O5Sc122013(17)1110(16)72112(11)148359(648)15(18)19h3614H27H21H3
MFCD02052882
STK075401
ZINC000100431562
ZINC100431562

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.