Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile
Catalog ID
STL004777
SMILES N#C/C(=C\c1cc2OCOc2cc1[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 C17H9N3O4S MW 351.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H9N3O4S/c18-8-11(17-19-12-3-1-2-4-16(12)25-17)5-10-6-14-15(24-9-23-14)7-13(10)20(21)22/h1-7H,9H2/b11-5+InChIKey
XTTBLQQYGHCGBT-VZUCSPMQSA-NSynonyms
452292-04-5(2E)2(13benzothiazol2yl)3(6nitro13benzodioxol5yl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YL)3(6NITRO13BENZODIOXOL5YL)PROP2ENENITRILE
(E)2(benzo(d)thiazol2yl)3(6nitrobenzo(d)(13)dioxol5yl)acrylonitrile
452292045
C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C3=NC4=CC=CC=C4S3)(N+)(=O)(O)
InChI=1SC17H9N3O4Sc18811(171912312416(12)2517)51061415(2492314)713(10)20(21)22h17H9H2b115+
MFCD02286213
N#CC(=Cc1cc2OCOc2cc1(N+)(=O)(O))c1nc2c(s1)cccc2
ZINC000004981344
ZINC04981344
ZINC4981344
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