Vitas-M small molecule compound
1-[(4-methyl-3-nitrophenyl)sulfonyl]azepane
Catalog ID
STL137242
SMILES [O-][N+](=O)c1cc(ccc1C)S(=O)(=O)N1CCCCCC1
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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 C13H18N2O4S MW 298.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N2O4S/c1-11-6-7-12(10-13(11)15(16)17)20(18,19)14-8-4-2-3-5-9-14/h6-7,10H,2-5,8-9H2,1H3InChIKey
QAJAOCBFBYINDJ-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(ccc1C)S(=O)(=O)N1CCCCCC1
1((4methyl3nitrophenyl)sulfonyl)azepane
1(4METHYL3NITROBENZENESULFONYL)AZEPANE
1(4METHYL3NITROPHENYL)SULFONYLAZEPANE
CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)(N+)(=O)(O)
InChI=1SC13H18N2O4Sc1116712(1013(11)15(16)17)20(1819)1484235914h6710H2589H21H3
MFCD02640332
ZINC000005017640
ZINC05017640
ZINC5017640
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