Vitas-M small molecule compound

(2E)-2-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enenitrile

Catalog ID
STK524013
SMILES N#C/C(=C\c1cc(OC)c(c(c1)[N+](=O)[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 C17H11N3O4S MW 353.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11N3O4S/c1-24-14-8-10(7-13(16(14)21)20(22)23)6-11(9-18)17-19-12-4-2-3-5-15(12)25-17/h2-8,21H,1H3/b11-6+
InChIKey
KXSZSABXZNPBQV-IZZDOVSWSA-N
Synonyms

(2E)2(13benzothiazol2yl)3(4hydroxy3methoxy5nitrophenyl)prop2enenitrile
MFCD01828538
N#CC(=Cc1cc(OC)c(c(c1)(N+)(=O)(O))O)c1nc2c(s1)cccc2
ZINC000036031945

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.