Vitas-M small molecule compound

3,7-bis[(4-methylphenyl)sulfonyl]-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one

Catalog ID
STK831245
SMILES CCCC12CN(CC(C2=O)(CN(C1)S(=O)(=O)c1ccc(cc1)C)CCC)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 C27H36N2O5S2 MW 532.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N2O5S2/c1-5-15-26-17-28(35(31,32)23-11-7-21(3)8-12-23)19-27(16-6-2,25(26)30)20-29(18-26)36(33,34)24-13-9-22(4)10-14-24/h7-14H,5-6,15-20H2,1-4H3
InChIKey
YZTGJRPCGLOFOA-UHFFFAOYSA-N
Synonyms

(1s5s)15dipropyl37ditosyl37diazabicyclo(331)nonan9one
37bis((4methylphenyl)sulfonyl)15dipropyl37diazabicyclo(331)nonan9one
37BIS(4METHYLPHENYL)SULFONYL15DIPROPYL37DIAZABICYCLO(331)NONAN9ONE
CCCC12CN(CC(C1=O)(CN(C2)S(=O)(=O)C3=CC=C(C=C3)C)CCC)S(=O)(=O)C4=CC=C(C=C4)C
InChI=1SC27H36N2O5S2c1515261728(35(3132)2311721(3)81223)1927(166225(26)30)2029(1826)36(3334)2413922(4)101424h714H561520H214H3
MFCD02950044
ZINC000000658090
ZINC00658090
ZINC658090

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Available files

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