Vitas-M small molecule compound

(2E)-N-({4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}carbamothioyl)-3-(4-methylphenyl)prop-2-enamide

Catalog ID
STK546548
SMILES CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(cc1)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 C21H21N5O3S3 MW 487.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3S3/c1-3-19-24-25-21(31-19)26-32(28,29)17-11-9-16(10-12-17)22-20(30)23-18(27)13-8-15-6-4-14(2)5-7-15/h4-13H,3H2,1-2H3,(H,25,26)(H2,22,23,27,30)/b13-8+
InChIKey
JRXSOLRHGOUUJD-MDWZMJQESA-N
Synonyms
329205-67-6
(2E)N(((4(((5ETHYL(134THIADIAZOL2YL))AMINO)SULFONYL)PHENYL)AMINO)THIOXOMETHYL)3(4METHYLPHENYL)PROP2ENAMIDE
(2E)N((4((5ethyl134thiadiazol2yl)sulfamoyl)phenyl)carbamothioyl)3(4methylphenyl)prop2enamide
(E)N((4((5ETHYL134THIADIAZOL2YL)SULFAMOYL)PHENYL)CARBAMOTHIOYL)3(4METHYLPHENYL)PROP2ENAMIDE
(E)N((4(N(5ethyl134thiadiazol2yl)sulfamoyl)phenyl)carbamothioyl)3(ptolyl)acrylamide
329205676
CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)C
CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)C=Cc1ccc(cc1)C
InChI=1SC21H21N5O3S3c1319242521(3119)2632(2829)1711916(101217)2220(30)2318(27)138156414(2)5715h413H3H212H3(H2526)(H222232730)b138+
MFCD00498917
ZINC000006088681
ZINC06088681
ZINC6088681

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Available files

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