Vitas-M small molecule compound

ethyl 4-({[(2-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate

Catalog ID
STK047916
SMILES CCOC(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccccc1[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 C17H15N3O5S MW 373.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O5S/c1-2-25-16(22)11-7-9-12(10-8-11)18-17(26)19-15(21)13-5-3-4-6-14(13)20(23)24/h3-10H,2H2,1H3,(H2,18,19,21,26)
InChIKey
DGBDBYWIGJYRIB-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2(N+)(=O)(O)
CCOC(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccccc1(N+)(=O)(O)
ETHYL4((((2NITROBENZOYL)AMINO)CARBOTHIOYL)AMINO)BENZOATE
ETHYL4((((2NITROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOATE
ETHYL4((2NITROBENZOYL)CARBAMOTHIOYLAMINO)BENZOATE
InChI=1SC17H15N3O5Sc122516(22)117912(10811)1817(26)1915(21)13534614(13)20(23)24h310H2H21H3(H218192126)
MFCD02821894
STK047916
ZINC000000674554
ZINC00674554
ZINC674554

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Available files

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