Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-(2-bromophenyl)prop-2-enenitrile
Catalog ID
STK046055
SMILES N#C/C(=C\c1ccccc1Br)/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 C16H9BrN2S MW 341.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H9BrN2S/c17-13-6-2-1-5-11(13)9-12(10-18)16-19-14-7-3-4-8-15(14)20-16/h1-9H/b12-9+InChIKey
ALLCWSCHAWJJMQ-FMIVXFBMSA-NSynonyms
(2E)2(13BENZOTHIAZOL2YL)3(2BROMOPHENYL)PROP2ENENITRILE
(2E)2BENZOTHIAZOL2YL3(2BROMOPHENYL)PROP2ENENITRILE
(E)2(13BENZOTHIAZOL2YL)3(2BROMOPHENYL)PROP2ENENITRILE
C1=CC=C(C(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)Br
InChI=1SC16H9BrN2Sc1713621511(13)912(1018)161914734815(14)2016h19Hb129+
MFCD01106195
N#CC(=Cc1ccccc1Br)c1nc2c(s1)cccc2
STK046055
ZINC000005129936
ZINC05129936
ZINC5129936
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