Vitas-M small molecule compound

N-[(3-methylphenyl)carbamothioyl]-4-nitrobenzamide

Catalog ID
STK062037
SMILES S=C(NC(=O)c1ccc(cc1)[N+](=O)[O-])Nc1cccc(c1)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 C15H13N3O3S MW 315.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O3S/c1-10-3-2-4-12(9-10)16-15(22)17-14(19)11-5-7-13(8-6-11)18(20)21/h2-9H,1H3,(H2,16,17,19,22)
InChIKey
IXCDPBUUURJLPB-UHFFFAOYSA-N
Synonyms

CC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC15H13N3O3Sc11032412(910)1615(22)1714(19)115713(8611)18(20)21h29H1H3(H216171922)
MFCD02624936
N((3METHYLPHENYL)CARBAMOTHIOYL)4NITROBENZAMIDE
S=C(NC(=O)c1ccc(cc1)(N+)(=O)(O))Nc1cccc(c1)C
STK062037
ZINC000000450875
ZINC00450875
ZINC450875

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Available files

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