Vitas-M small molecule compound
(2Z)-2-(1H-benzimidazol-2-yl)-3-(2,4-dimethoxy-5-nitrophenyl)prop-2-enenitrile
Catalog ID
STL387351
SMILES COc1cc(OC)c(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 C18H14N4O4 MW 350.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N4O4/c1-25-16-9-17(26-2)15(22(23)24)8-11(16)7-12(10-19)18-20-13-5-3-4-6-14(13)21-18/h3-9H,1-2H3,(H,20,21)/b12-7-InChIKey
RFBFSUNULODRQU-GHXNOFRVSA-NSynonyms
(2Z)2(1Hbenzimidazol2yl)3(24dimethoxy5nitrophenyl)prop2enenitrile
(Z)2(1HBENZIMIDAZOL2YL)3(24DIMETHOXY5NITROPHENYL)PROP2ENENITRILE
COC1=CC(=C(C=C1C=C(C#N)C2=NC3=CC=CC=C3N2)(N+)(=O)(O))OC
COc1cc(OC)c(cc1C=C(c1nc2c((nH)1)cccc2)C#N)(N+)(=O)(O)
InChI=1SC18H14N4O4c12516917(262)15(22(23)24)811(16)712(1019)182013534614(13)2118h39H12H3(H2021)b127
MFCD06628671
ZINC000004756137
ZINC04756137
ZINC4756137
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