Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile
Catalog ID
STL025537
SMILES N#C/C(=C\c1ccccc1[N+](=O)[O-])/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 C16H9N3O2S MW 307.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H9N3O2S/c17-10-12(9-11-5-1-3-7-14(11)19(20)21)16-18-13-6-2-4-8-15(13)22-16/h1-9H/b12-9+InChIKey
BWXNFWQWMRNUBQ-FMIVXFBMSA-NSynonyms
(2E)2(13benzothiazol2yl)3(2nitrophenyl)prop2enenitrile
(2E)2BENZOTHIAZOL2YL3(2NITROPHENYL)PROP2ENENITRILE
(E)2(13BENZOTHIAZOL2YL)3(2NITROPHENYL)PROP2ENENITRILE
(Z)2(benzo(d)thiazol2yl)3(2nitrophenyl)acrylonitrile
C1=CC=C(C(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)(N+)(=O)(O)
InChI=1SC16H9N3O2Sc171012(911513714(11)19(20)21)161813624815(13)2216h19Hb129+
MFCD00638440
N#CC(=Cc1ccccc1(N+)(=O)(O))c1nc2c(s1)cccc2
ZINC000015932389
ZINC15932389
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