Vitas-M small molecule compound
(2Z)-2-(1H-benzimidazol-2-yl)-3-[5-nitro-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enenitrile
Catalog ID
STK294096
SMILES C#CCOc1ccc(cc1/C=C(\c1nc2c([nH]1)cccc2)/C#N)[N+](=O)[O-]
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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 C19H12N4O3 MW 344.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12N4O3/c1-2-9-26-18-8-7-15(23(24)25)11-13(18)10-14(12-20)19-21-16-5-3-4-6-17(16)22-19/h1,3-8,10-11H,9H2,(H,21,22)/b14-10-InChIKey
DIKYRYNZQSGOQF-UVTDQMKNSA-NSynonyms
(2Z)2(1Hbenzimidazol2yl)3(5nitro2(prop2yn1yloxy)phenyl)prop2enenitrile
(Z)2(1HBENZIMIDAZOL2YL)3(5NITRO2PROP2YNOXYPHENYL)PROP2ENENITRILE
C#CCOC1=C(C=C(C=C1)(N+)(=O)(O))C=C(C#N)C2=NC3=CC=CC=C3N2
C#CCOc1ccc(cc1C=C(c1nc2c((nH)1)cccc2)C#N)(N+)(=O)(O)
InChI=1SC19H12N4O3c12926188715(23(24)25)1113(18)1014(1220)192116534617(16)2219h1381011H9H2(H2122)b1410
MFCD06001428
ZINC000005028279
ZINC05028279
ZINC5028279
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