Vitas-M small molecule compound

N-(methylcarbamothioyl)-3-nitrobenzamide

Catalog ID
STL065050
SMILES CNC(=S)NC(=O)c1cccc(c1)[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 C9H9N3O3S MW 239.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H9N3O3S/c1-10-9(16)11-8(13)6-3-2-4-7(5-6)12(14)15/h2-5H,1H3,(H2,10,11,13,16)
InChIKey
BUQFLDGQPOPXDV-UHFFFAOYSA-N
Synonyms
117929-23-4
117929234
CNC(=S)NC(=O)C1=CC(=CC=C1)(N+)(=O)(O)
CNC(=S)NC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC9H9N3O3Sc1109(16)118(13)63247(56)12(14)15h25H1H3(H210111316)
MFCD01412068
N((METHYLAMINO)THIOXOMETHYL)(3NITROPHENYL)CARBOXAMIDE
N(3NITROBENZOYL)NMETHYLTHIOUREA
N(methylcarbamothioyl)3nitrobenzamide
ZINC000012138135
ZINC12138135

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Available files

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