Vitas-M small molecule compound
1-[(2E)-4-chloro-1-(2,4-dimethylphenyl)-1-oxo-3,4-bis(propylsulfonyl)but-2-en-2-yl]-3-methylpyridinium
Catalog ID
STK870222
SMILES CCCS(=O)(=O)/C(=C(\C(=O)c1ccc(cc1C)C)/[n+]1cccc(c1)C)/C(S(=O)(=O)CCC)Cl
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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 C24H31ClNO5S2 MW 513.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31ClNO5S2/c1-6-13-32(28,29)23(24(25)33(30,31)14-7-2)21(26-12-8-9-18(4)16-26)22(27)20-11-10-17(3)15-19(20)5/h8-12,15-16,24H,6-7,13-14H2,1-5H3/q+1/b23-21+InChIKey
BRQAQCZVGZVNEO-XTQSDGFTSA-NSynonyms
(E)4chloro1(24dimethylphenyl)2(3methylpyridin1ium1yl)34bis(propylsulfonyl)but2en1one
1((2E)4chloro1(24dimethylphenyl)1oxo34bis(propylsulfonyl)but2en2yl)3methylpyridinium
CCCS(=O)(=O)C(=C(C(=O)c1ccc(cc1C)C)(n+)1cccc(c1)C)C(S(=O)(=O)CCC)Cl
CCCS(=O)(=O)C(C(=C(C(=O)C1=C(C=C(C=C1)C)C)(N+)2=CC=CC(=C2)C)S(=O)(=O)CCC)Cl
InChI=1SC24H31ClNO5S2c161332(2829)23(24(25)33(3031)1472)21(26128918(4)1626)22(27)20111017(3)1519(20)5h812151624H671314H215H3q+1b2321+
ZINC000003668227
ZINC000012411380
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