Vitas-M small molecule compound

(2E)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)-3-(4-fluorophenyl)prop-2-enamide

Catalog ID
STK391159
SMILES S=C(Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C)NC(=O)/C=C/c1ccc(cc1)F

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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 C22H20FN5O3S2 MW 485.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FN5O3S2/c1-14-13-15(2)25-21(24-14)28-33(30,31)19-10-8-18(9-11-19)26-22(32)27-20(29)12-5-16-3-6-17(23)7-4-16/h3-13H,1-2H3,(H,24,25,28)(H2,26,27,29,32)/b12-5+
InChIKey
NQZGFTZFWVJWEV-LFYBBSHMSA-N
Synonyms
306766-81-4
(2E)N((4((46dimethylpyrimidin2yl)sulfamoyl)phenyl)carbamothioyl)3(4fluorophenyl)prop2enamide
(E)N((4((46DIMETHYLPYRIMIDIN2YL)SULFAMOYL)PHENYL)CARBAMOTHIOYL)3(4FLUOROPHENYL)PROP2ENAMIDE
(E)N((4(N(46dimethylpyrimidin2yl)sulfamoyl)phenyl)carbamothioyl)3(4fluorophenyl)acrylamide
306766814
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)F)C
InChI=1SC22H20FN5O3S2c1141315(2)2521(2414)2833(3031)1910818(91119)2622(32)2720(29)125163617(23)7416h313H12H3(H242528)(H226272932)b125+
MFCD00320995
S=C(Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C)NC(=O)C=Cc1ccc(cc1)F
ZINC000002367455
ZINC02367455
ZINC2367455

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Available files

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