Vitas-M small molecule compound

N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]thiophene-2-carboxamide

Catalog ID
STK203701
SMILES Cc1cc(C)nc(n1)N/C(=N/C(=O)c1cccs1)/NCCc1c[nH]c2c1cccc2

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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 C22H22N6OS MW 418.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6OS/c1-14-12-15(2)26-22(25-14)28-21(27-20(29)19-8-5-11-30-19)23-10-9-16-13-24-18-7-4-3-6-17(16)18/h3-8,11-13,24H,9-10H2,1-2H3,(H2,23,25,26,27,28,29)
InChIKey
BKWZFVKYVGHBRE-UHFFFAOYSA-N
Synonyms
827008-96-8
(2E)3((46DIMETHYLPYRIMIDIN2YL)AMINO)3((2INDOL3YLETHYL)AMINO)1(2THIENYL)2AZAPROP2EN1ONE
(E)N(((2(1Hindol3yl)ethyl)amino)((46dimethylpyrimidin2yl)amino)methylene)thiophene2carboxamide
827008968
CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4)C
Cc1cc(C)nc(n1)NC(=NC(=O)c1cccs1)NCCc1c(nH)c2c1cccc2
InChI=1SC22H22N6OSc1141215(2)2622(2514)2821(2720(29)1985113019)2310916132418743617(16)18h38111324H910H212H3(H2232526272829)
MFCD06650291
N((E)((46dimethylpyrimidin2yl)amino)((2(1Hindol3yl)ethyl)amino)methylidene)thiophene2carboxamide
N(N(46DIMETHYLPYRIMIDIN2YL)N(2(1HINDOL3YL)ETHYL)CARBAMIMIDOYL)THIOPHENE2CARBOXAMIDE
ZINC000004740399
ZINC4740399

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Available files

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