Vitas-M small molecule compound
2-bromo-6-ethoxy-4-{(E)-[2-(prop-2-en-1-ylcarbamothioyl)hydrazinylidene]methyl}phenyl 4-methylbenzenesulfonate
Catalog ID
STK361989
SMILES C=CCNC(=S)N/N=C/c1cc(Br)c(c(c1)OCC)OS(=O)(=O)c1ccc(cc1)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 C20H22BrN3O4S2 MW 512.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrN3O4S2/c1-4-10-22-20(29)24-23-13-15-11-17(21)19(18(12-15)27-5-2)28-30(25,26)16-8-6-14(3)7-9-16/h4,6-9,11-13H,1,5,10H2,2-3H3,(H2,22,24,29)/b23-13+InChIKey
HOUHDRZGAWEMDQ-YDZHTSKRSA-NSynonyms
(2bromo6ethoxy4((E)(prop2enylcarbamothioylhydrazinylidene)methyl)phenyl)4methylbenzenesulfonate
2BROMO6ETHOXY4((E)(2(PROP2EN1YLCARBAMOTHIOYL)HYDRAZINYLIDENE)METHYL)PHENYL4METHYLBENZENESULFONATE
4((1E)2(((PROP2ENYLAMINO)THIOXOMETHYL)AMINO)2AZAVINYL)2BROMO6ETHOXYPHENYL4METHYLBENZENESULFONATE
C=CCNC(=S)NN=Cc1cc(Br)c(c(c1)OCC)OS(=O)(=O)c1ccc(cc1)C
CCOC1=C(C(=CC(=C1)C=NNC(=S)NCC=C)Br)OS(=O)(=O)C2=CC=C(C=C2)C
InChI=1SC20H22BrN3O4S2c14102220(29)242313151117(21)19(18(1215)2752)2830(2526)168614(3)7916h4691113H1510H223H3(H2222429)b2313+
MFCD03102990
ZINC000016158347
ZINC35386937
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