Vitas-M small molecule compound

ethyl 2-{[(3-nitrophenyl)carbonyl]amino}-5-propylthiophene-3-carboxylate

Catalog ID
STK451320
SMILES CCOC(=O)c1cc(sc1NC(=O)c1cccc(c1)[N+](=O)[O-])CCC

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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 C17H18N2O5S MW 362.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O5S/c1-3-6-13-10-14(17(21)24-4-2)16(25-13)18-15(20)11-7-5-8-12(9-11)19(22)23/h5,7-10H,3-4,6H2,1-2H3,(H,18,20)
InChIKey
OROFDJVTGJUHLD-UHFFFAOYSA-N
Synonyms

CCCC1=CC(=C(S1)NC(=O)C2=CC(=CC=C2)(N+)(=O)(O))C(=O)OCC
CCOC(=O)c1cc(sc1NC(=O)c1cccc(c1)(N+)(=O)(O))CCC
ethyl2(((3nitrophenyl)carbonyl)amino)5propylthiophene3carboxylate
ethyl2((3nitrobenzoyl)amino)5propylthiophene3carboxylate
ETHYL2((3NITROPHENYL)CARBONYLAMINO)5PROPYLTHIOPHENE3CARBOXYLATE
InChI=1SC17H18N2O5Sc136131014(17(21)2442)16(2513)1815(20)1175812(911)19(22)23h5710H346H212H3(H1820)
MFCD02608019
ZINC000001002165
ZINC01002165
ZINC1002165

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Available files

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