Vitas-M small molecule compound

(2E)-4-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-4-oxobut-2-enoic acid

Catalog ID
STK072740
SMILES OC(=O)/C=C/C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)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 C16H16N4O5S MW 376.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O5S/c1-10-9-11(2)18-16(17-10)20-26(24,25)13-5-3-12(4-6-13)19-14(21)7-8-15(22)23/h3-9H,1-2H3,(H,19,21)(H,22,23)(H,17,18,20)/b8-7+
InChIKey
BUGYDSJZQNENIV-BQYQJAHWSA-N
Synonyms
910621-63-5
(2E)3((4((46DIMETHYLPYRIMIDIN2YL)SULFAMOYL)PHENYL)CARBAMOYL)PROP2ENOICACID
(2E)3(N(4(((46DIMETHYLPYRIMIDIN2YL)AMINO)SULFONYL)PHENYL)CARBAMOYL)PROP2ENOICACID
(2E)4((4((46DIMETHYLPYRIMIDIN2YL)SULFAMOYL)PHENYL)AMINO)4OXOBUT2ENOICACID
(E)4(4((46DIMETHYLPYRIMIDIN2YL)SULFAMOYL)ANILINO)4OXOBUT2ENOICACID
3(4(46DIMETHYLPYRIMIDIN2YLSULFAMOYL)PHENYLCARBAMOYL)ACRYLICACID
910621635
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC(=O)O)C
InChI=1SC16H16N4O5Sc110911(2)1816(1710)2026(2425)135312(4613)1914(21)7815(22)23h39H12H3(H1921)(H2223)(H171820)b87+
MFCD00771843
OC(=O)C=CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C
STK072740
ZINC000000835985
ZINC835985

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Available files

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