Vitas-M small molecule compound
(4Z)-5-methyl-4-{[(phenylsulfonyl)oxy]imino}-2-(propan-2-yl)cyclohexa-2,5-dien-1-one
Catalog ID
STK740987
SMILES CC(C1=C/C(=N/OS(=O)(=O)c2ccccc2)/C(=CC1=O)C)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 C16H17NO4S MW 319.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO4S/c1-11(2)14-10-15(12(3)9-16(14)18)17-21-22(19,20)13-7-5-4-6-8-13/h4-11H,1-3H3/b17-15-InChIKey
LUPHIZIYPWXHSF-ICFOKQHNSA-NSynonyms
((Z)(2METHYL4OXO5PROPAN2YLCYCLOHEXA25DIEN1YLIDENE)AMINO)BENZENESULFONATE
(4Z)5methyl4(((phenylsulfonyl)oxy)imino)2(propan2yl)cyclohexa25dien1one
(Z)2isopropyl5methyl4(((phenylsulfonyl)oxy)imino)cyclohexa25dienone
CC(C1=CC(=NOS(=O)(=O)c2ccccc2)C(=CC1=O)C)C
CC1=CC(=O)C(=CC1=NOS(=O)(=O)C2=CC=CC=C2)C(C)C
InChI=1SC16H17NO4Sc111(2)141015(12(3)916(14)18)172122(1920)137546813h411H13H3b1715
MFCD01958180
ZINC000002287387
ZINC13686548
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