Vitas-M small molecule compound

N-{(E)-[(4,6-dimethylpyrimidin-2-yl)amino][(4-ethoxyphenyl)amino]methylidene}benzenesulfonamide

Catalog ID
STK082932
SMILES CCOc1ccc(cc1)N/C(=N\S(=O)(=O)c1ccccc1)/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 C21H23N5O3S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O3S/c1-4-29-18-12-10-17(11-13-18)24-21(25-20-22-15(2)14-16(3)23-20)26-30(27,28)19-8-6-5-7-9-19/h5-14H,4H2,1-3H3,(H2,22,23,24,25,26)
InChIKey
WQDKKCMYJHBSQG-UHFFFAOYSA-N
Synonyms
389083-10-7
(E)N(((46dimethylpyrimidin2yl)amino)((4ethoxyphenyl)amino)methylene)benzenesulfonamide
2(BENZENESULFONYL)1(46DIMETHYLPYRIMIDIN2YL)3(4ETHOXYPHENYL)GUANIDINE
389083107
CCOC1=CC=C(C=C1)NC(=NS(=O)(=O)C2=CC=CC=C2)NC3=NC(=CC(=N3)C)C
CCOc1ccc(cc1)NC(=NS(=O)(=O)c1ccccc1)Nc1nc(C)cc(n1)C
InChI=1SC21H23N5O3Sc142918121017(111318)2421(25202215(2)1416(3)2320)2630(2728)198657919h514H4H213H3(H22223242526)
MFCD01955820
N(((46DIMETHYL2PYRIMIDINYL)AMINO)(4ETHOXYANILINO)METHYLENE)BENZENESULFONAMIDE
N((E)((46DIMETHYLPYRIMIDIN2YL)AMINO)((4ETHOXYPHENYL)AMINO)METHYLIDENE)BENZENESULFONAMIDE
STK082932
ZINC000013774955
ZINC13774955

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Available files

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