Vitas-M small molecule compound

5-bromo-3,7-bis[(4-methylphenyl)sulfonyl]-1,3,7-triazabicyclo[3.3.1]nonane

Catalog ID
STK362998
SMILES Cc1ccc(cc1)S(=O)(=O)N1CN2CN(CC(C1)(C2)Br)S(=O)(=O)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 C20H24BrN3O4S2 MW 514.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24BrN3O4S2/c1-16-3-7-18(8-4-16)29(25,26)23-12-20(21)11-22(14-23)15-24(13-20)30(27,28)19-9-5-17(2)6-10-19/h3-10H,11-15H2,1-2H3
InChIKey
XBWULHXXTBLFQP-UHFFFAOYSA-N
Synonyms

37BIS((4METHYLPHENYL)SULFONYL)5BROMO137TRIAZABICYCLO(331)NONANE
5bromo37bis((4methylphenyl)sulfonyl)137triazabicyclo(331)nonane
5BROMO37BIS(4METHYLPHENYL)SULFONYL137TRIAZABICYCLO(331)NONANE
5BROMO37BIS(TOLUENE4SULFONYL)137TRIAZABICYCLO(331)NONANE
CC1=CC=C(C=C1)S(=O)(=O)N2CC3(CN(C2)CN(C3)S(=O)(=O)C4=CC=C(C=C4)C)Br
InChI=1SC20H24BrN3O4S2c1163718(8416)29(2526)231220(21)1122(1423)1524(1320)30(2728)199517(2)61019h310H1115H212H3
MFCD00336322
ZINC000019313015
ZINC19313015

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Available files

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