Vitas-M small molecule compound

3,5-dimethoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide

Catalog ID
STK010465
SMILES COc1cc(OC)cc(c1)C(=O)NC(=S)Nc1cccc(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 C16H15N3O5S MW 361.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O5S/c1-23-13-6-10(7-14(9-13)24-2)15(20)18-16(25)17-11-4-3-5-12(8-11)19(21)22/h3-9H,1-2H3,(H2,17,18,20,25)
InChIKey
GMOJTNLFDPNWPZ-UHFFFAOYSA-N
Synonyms

35DIMETHOXYN((3NITROPHENYL)CARBAMOTHIOYL)BENZAMIDE
COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=CC=C2)(N+)(=O)(O))OC
COc1cc(OC)cc(c1)C(=O)NC(=S)Nc1cccc(c1)(N+)(=O)(O)
InChI=1SC16H15N3O5Sc12313610(714(913)242)15(20)1816(25)171143512(811)19(21)22h39H12H3(H217182025)
MFCD03031020
STK010465
ZINC000001179960
ZINC01179960
ZINC1179960

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Available files

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