Vitas-M small molecule compound
2-bromo-4-[(E)-(2-carbamothioylhydrazinylidene)methyl]-6-ethoxyphenyl benzenesulfonate
Catalog ID
STK380337
SMILES CCOc1cc(/C=N/NC(=S)N)cc(c1OS(=O)(=O)c1ccccc1)Br
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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 C16H16BrN3O4S2 MW 458.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16BrN3O4S2/c1-2-23-14-9-11(10-19-20-16(18)25)8-13(17)15(14)24-26(21,22)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H3,18,20,25)/b19-10+InChIKey
XWFHUGPHNUJSOU-VXLYETTFSA-NSynonyms
494758-84-8(2BROMO4((E)(CARBAMOTHIOYLHYDRAZINYLIDENE)METHYL)6ETHOXYPHENYL)BENZENESULFONATE
2bromo4((E)(2carbamothioylhydrazinylidene)methyl)6ethoxyphenylbenzenesulfonate
4(2(AMINOCARBOTHIOYL)CARBOHYDRAZONOYL)2BROMO6ETHOXYPHENYLBENZENESULFONATE
494758848
CCOC1=C(C(=CC(=C1)C=NNC(=S)N)Br)OS(=O)(=O)C2=CC=CC=C2
CCOc1cc(C=NNC(=S)N)cc(c1OS(=O)(=O)c1ccccc1)Br
InChI=1SC16H16BrN3O4S2c122314911(10192016(18)25)813(17)15(14)2426(2122)126435712h310H2H21H3(H3182025)b1910+
MFCD02608363
ZINC000002078268
ZINC33347895
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