Vitas-M small molecule compound

N-[(3-{[(4-tert-butylphenyl)carbonyl]amino}phenyl)carbamothioyl]-2-nitrobenzamide

Catalog ID
STK398821
SMILES S=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1cccc(c1)NC(=O)c1ccc(cc1)C(C)(C)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 C25H24N4O4S MW 476.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O4S/c1-25(2,3)17-13-11-16(12-14-17)22(30)26-18-7-6-8-19(15-18)27-24(34)28-23(31)20-9-4-5-10-21(20)29(32)33/h4-15H,1-3H3,(H,26,30)(H2,27,28,31,34)
InChIKey
KRLKSHBGQQNQMW-UHFFFAOYSA-N
Synonyms
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3(N+)(=O)(O)
N((3(((4tertbutylphenyl)carbonyl)amino)phenyl)carbamothioyl)2nitrobenzamide
N((3((4TERTBUTYLBENZOYL)AMINO)PHENYL)CARBAMOTHIOYL)2NITROBENZAMIDE
S=C(NC(=O)c1ccccc1(N+)(=O)(O))Nc1cccc(c1)NC(=O)c1ccc(cc1)C(C)(C)C
Registry IDs
MFCD06630533
ZINC000001068476
ZINC01068476
ZINC1068476

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Available files

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