Vitas-M small molecule compound

4-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidamido]benzenesulfonic acid

Catalog ID
STK082867
SMILES N=C(Nc1nc(C)cc(n1)C)Nc1ccc(cc1)S(=O)(=O)O

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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 C13H15N5O3S MW 321.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N5O3S/c1-8-7-9(2)16-13(15-8)18-12(14)17-10-3-5-11(6-4-10)22(19,20)21/h3-7H,1-2H3,(H,19,20,21)(H3,14,15,16,17,18)
InChIKey
DOBPFNKCYLZEAB-UHFFFAOYSA-N
Synonyms

4((((46DIMETHYLPYRIMIDIN2YL)AMINO)IMINOMETHYL)AMINO)BENZENESULFONICACID
4(((E)N(46DIMETHYLPYRIMIDIN2YL)CARBAMIMIDOYL)AMINO)BENZENESULFONICACID
4(((Z)N(46DIMETHYLPYRIMIDIN2YL)CARBAMIMIDOYL)AMINO)BENZENESULFONICACID
4((AMINO(46DIMETHYLPYRIMIDIN2YL)AZANIUMYLIDENEMETHYL)AMINO)BENZENESULFONATE
4((N(46DIMETHYLPYRIMIDIN2YL)CARBAMIMIDOYL)AMINO)BENZENESULFONICACID
4(3(46dimethylpyrimidin2yl)guanidino)benzenesulfonicacid
4(N(46DIMETHYLPYRIMIDIN2YL)CARBAMIMIDAMIDO)BENZENESULFONICACID
4(N(46DIMETHYLPYRIMIDIN2YL)GUANIDINO)BENZENESULFONICACID
CC1=CC(=NC(=N1)N=C(N)NC2=CC=C(C=C2)S(=O)(=O)O)C
InChI=1SC13H15N5O3Sc1879(2)1613(158)1812(14)17103511(6410)22(1920)21h37H12H3(H192021)(H31415161718)
MFCD01959626
N=C(Nc1nc(C)cc(n1)C)Nc1ccc(cc1)S(=O)(=O)O
STK082867
ZINC000002288757
ZINC02288757
ZINC2288757

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Available files

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