Vitas-M small molecule compound

N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}-2-nitrobenzamide

Catalog ID
STK064856
SMILES CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)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 C17H15N5O5S2 MW 433.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N5O5S2/c1-2-15-19-20-17(28-15)21-29(26,27)12-9-7-11(8-10-12)18-16(23)13-5-3-4-6-14(13)22(24)25/h3-10H,2H2,1H3,(H,18,23)(H,20,21)
InChIKey
JNSYJYGIAYLTMP-UHFFFAOYSA-N
Synonyms
312914-40-2
312914402
CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3(N+)(=O)(O)
CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC17H15N5O5S2c1215192017(2815)2129(2627)129711(81012)1816(23)13534614(13)22(24)25h310H2H21H3(H1823)(H2021)
MFCD00806589
N(4(((5ETHYL134THIADIAZOL2YL)AMINO)SULFONYL)PHENYL)2NITROBENZAMIDE
N(4((5ETHYL134THIADIAZOL2YL)SULFAMOYL)PHENYL)2NITROBENZAMIDE
N(4(5ETHYL(134)THIADIAZOL2YLSULFAMOYL)PHENYL)2NITROBENZAMIDE
N(4(N(5ETHYL134THIADIAZOL2YL)SULFAMOYL)PHENYL)2NITROBENZAMIDE
STK064856
ZINC000002131812
ZINC02131812
ZINC2131812

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Available files

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