Vitas-M small molecule compound
2,2'-butane-1,4-diylbis(1,3,5-trimethyl-1H-pyrazol-2-ium) bis(4-methylbenzenesulfonate)
Catalog ID
STK074257
SMILES Cc1cc([n+](n1C)CCCC[n+]1c(C)cc(n1C)C)C.Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(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 C30H42N4O6S2 MW 618.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H28N4.2C7H8O3S/c1-13-11-15(3)19(17(13)5)9-7-8-10-20-16(4)12-14(2)18(20)6;2*1-6-2-4-7(5-3-6)11(8,9)10/h11-12H,7-10H2,1-6H3;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2InChIKey
ZXEYMYUUYMLGJW-UHFFFAOYSA-LSynonyms
22BUTANE14DIYLBIS(135TRIMETHYL1HPYRAZOL2IUM)BIS(4METHYLBENZENESULFONATE)
291300828
4METHYLBENZENESULFONATE135TRIMETHYL2(4(235TRIMETHYLPYRAZOL2IUM1YL)BUTYL)PYRAZOL1IUM
CC1=CC=C(C=C1)S(=O)(=O)(O)CC1=CC=C(C=C1)S(=O)(=O)(O)CC1=CC(=(N+)(N1CCCCN2C(=CC(=(N+)2C)C)C)C)C
Cc1cc((n+)(n1C)CCCC(n+)1c(C)cc(n1C)C)CCc1ccc(cc1)S(=O)(=O)(O)Cc1ccc(cc1)S(=O)(=O)(O)
InChI=1SC16H28N42C7H8O3Sc1131115(3)19(17(13)5)978102016(4)1214(2)18(20)62*16247(536)11(89)10h1112H710H216H32*25H1H3(H8910)q+2p2
MFCD00142309
ZINC000002923780
Check stock
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Check stock on Vitas-MAvailable files
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