Vitas-M small molecule compound

N-[(4-methoxyphenyl)carbamothioyl]-2-nitrobenzamide

Catalog ID
STK090036
SMILES COc1ccc(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 C15H13N3O4S MW 331.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O4S/c1-22-11-8-6-10(7-9-11)16-15(23)17-14(19)12-4-2-3-5-13(12)18(20)21/h2-9H,1H3,(H2,16,17,19,23)
InChIKey
UKKOCWWIDBNGHY-UHFFFAOYSA-N
Synonyms
428490-96-4
428490964
COC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2(N+)(=O)(O)
COc1ccc(cc1)NC(=S)NC(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC15H13N3O4Sc122118610(7911)1615(23)1714(19)12423513(12)18(20)21h29H1H3(H216171923)
MFCD02821861
N((4METHOXYPHENYL)CARBAMOTHIOYL)2NITROBENZAMIDE
STK090036
ZINC000000454511
ZINC00454511
ZINC454511

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Available files

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