Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromophenyl)prop-2-enenitrile
Catalog ID
STK294085
SMILES N#C/C(=C\c1cccc(c1)Br)/Sc1nc2c(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 C16H9BrN2S2 MW 373.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H9BrN2S2/c17-12-5-3-4-11(8-12)9-13(10-18)20-16-19-14-6-1-2-7-15(14)21-16/h1-9H/b13-9+InChIKey
GKTFRBTXLAEIAB-UKTHLTGXSA-NSynonyms
(2E)2(13benzothiazol2ylsulfanyl)3(3bromophenyl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YLSULFANYL)3(3BROMOPHENYL)PROP2ENENITRILE
C1=CC=C2C(=C1)N=C(S2)SC(=CC3=CC(=CC=C3)Br)C#N
InChI=1SC16H9BrN2S2c171253411(812)913(1018)20161914612715(14)2116h19Hb139+
MFCD07178622
N#CC(=Cc1cccc(c1)Br)Sc1nc2c(s1)cccc2
ZINC000004820384
ZINC04820384
ZINC4820384
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