Vitas-M small molecule compound
(2Z)-2-(5-methoxy-1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile
Catalog ID
STL381469
SMILES N#C/C(=C/c1ccccc1[N+](=O)[O-])/c1nc2c([nH]1)ccc(c2)OC
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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 C17H12N4O3 MW 320.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N4O3/c1-24-13-6-7-14-15(9-13)20-17(19-14)12(10-18)8-11-4-2-3-5-16(11)21(22)23/h2-9H,1H3,(H,19,20)/b12-8-InChIKey
NECGHXPQRSJYNM-WQLSENKSSA-NSynonyms
(2Z)2(5methoxy1Hbenzimidazol2yl)3(2nitrophenyl)prop2enenitrile
(Z)2(6methoxy1Hbenzimidazol2yl)3(2nitrophenyl)prop2enenitrile
COC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC=CC=C3(N+)(=O)(O))C#N
InChI=1SC17H12N4O3c12413671415(913)2017(1914)12(1018)811423516(11)21(22)23h29H1H3(H1920)b128
MFCD07433334
N#CC(=Cc1ccccc1(N+)(=O)(O))c1nc2c((nH)1)ccc(c2)OC
ZINC000017055162
ZINC17055162
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