Vitas-M small molecule compound
2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-4-bromophenyl benzenesulfonate
Catalog ID
STK362077
SMILES N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)/c1nc2c(s1)cccc2
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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 C22H13BrN2O3S2 MW 497.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13BrN2O3S2/c23-17-10-11-20(28-30(26,27)18-6-2-1-3-7-18)15(13-17)12-16(14-24)22-25-19-8-4-5-9-21(19)29-22/h1-13H/b16-12+InChIKey
OWOMJNYTRUHPOU-FOWTUZBSSA-NSynonyms
634594-95-9(2((E)2(13BENZOTHIAZOL2YL)2CYANOETHENYL)4BROMOPHENYL)BENZENESULFONATE
2((E)2(13BENZOTHIAZOL2YL)2CYANOETHENYL)4BROMOPHENYLBENZENESULFONATE
634594959
C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)C=C(C#N)C3=NC4=CC=CC=C4S3
InChI=1SC22H13BrN2O3S2c2317101120(2830(2627)186213718)15(1317)1216(1424)222519845921(19)2922h113Hb1612+
MFCD02915014
N#CC(=Cc1cc(Br)ccc1OS(=O)(=O)c1ccccc1)c1nc2c(s1)cccc2
ZINC000016185138
ZINC16185138
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