Vitas-M small molecule compound

4-bromo-N-{(Z)-{[2-(3,4-dimethoxyphenyl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}benzenesulfonamide

Catalog ID
STK042647
SMILES COc1cc(CCN/C(=N/S(=O)(=O)c2ccc(cc2)Br)/Nc2nc(C)cc(n2)C)ccc1OC

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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 C23H26BrN5O4S MW 548.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26BrN5O4S/c1-15-13-16(2)27-23(26-15)28-22(29-34(30,31)19-8-6-18(24)7-9-19)25-12-11-17-5-10-20(32-3)21(14-17)33-4/h5-10,13-14H,11-12H2,1-4H3,(H2,25,26,27,28,29)
InChIKey
CPNDIRGVKXKSRQ-UHFFFAOYSA-N
Synonyms
443321-98-0
(Z)4bromoN(((34dimethoxyphenethyl)amino)((46dimethylpyrimidin2yl)amino)methylene)benzenesulfonamide
1(((1E)2((2(34DIMETHOXYPHENYL)ETHYL)AMINO)2((46DIMETHYLPYRIMIDIN2YL)AMINO)1AZAVINYL)SULFONYL)4BROMOBENZENE
1(4BROMOPHENYL)SULFONYL2(2(34DIMETHOXYPHENYL)ETHYL)3(46DIMETHYLPYRIMIDIN2YL)GUANIDINE
4BROMON((Z)((2(34DIMETHOXYPHENYL)ETHYL)AMINO)((46DIMETHYLPYRIMIDIN2YL)AMINO)METHYLIDENE)BENZENESULFONAMIDE
4BROMON(N(2(34DIMETHOXYPHENYL)ETHYL)N(46DIMETHYLPYRIMIDIN2YL)CARBAMIMIDOYL)BENZENESULFONAMIDE
CC1=CC(=NC(=N1)NC(=NCCC2=CC(=C(C=C2)OC)OC)NS(=O)(=O)C3=CC=C(C=C3)Br)C
COc1cc(CCNC(=NS(=O)(=O)c2ccc(cc2)Br)Nc2nc(C)cc(n2)C)ccc1OC
InChI=1SC23H26BrN5O4Sc1151316(2)2723(2615)2822(2934(3031)198618(24)7919)2512111751020(323)21(1417)334h5101314H1112H214H3(H22526272829)
MFCD03287982
STK042647
ZINC000006166525
ZINC06166525
ZINC6166525

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Available files

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