Vitas-M small molecule compound
4-ethoxy-N-[(4-methylphenyl)carbamothioyl]-3-nitrobenzamide
Catalog ID
STK141196
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc(cc1)C
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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 C17H17N3O4S MW 359.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O4S/c1-3-24-15-9-6-12(10-14(15)20(22)23)16(21)19-17(25)18-13-7-4-11(2)5-8-13/h4-10H,3H2,1-2H3,(H2,18,19,21,25)InChIKey
NGKGOYMLBBKFKE-UHFFFAOYSA-NSynonyms
4ETHOXYN((4METHYLPHENYL)CARBAMOTHIOYL)3NITROBENZAMIDE
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc(cc1)C
InChI=1SC17H17N3O4Sc1324159612(1014(15)20(22)23)16(21)1917(25)18137411(2)5813h410H3H212H3(H218192125)
MFCD02626941
ZINC000001174486
ZINC01174486
ZINC1174486
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