Vitas-M small molecule compound

(2E)-2-(5-methoxy-1H-benzimidazol-2-yl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile

Catalog ID
STK201558
SMILES N#C/C(=C\c1ccc(o1)c1ccc(cc1)[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 C21H14N4O4 MW 386.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N4O4/c1-28-16-6-8-18-19(11-16)24-21(23-18)14(12-22)10-17-7-9-20(29-17)13-2-4-15(5-3-13)25(26)27/h2-11H,1H3,(H,23,24)/b14-10+
InChIKey
ZHZGHKCTIZQQJL-GXDHUFHOSA-N
Synonyms

(2E)2(5METHOXY1HBENZIMIDAZOL2YL)3(5(4NITROPHENYL)FURAN2YL)PROP2ENENITRILE
(E)2(6METHOXY1HBENZIMIDAZOL2YL)3(5(4NITROPHENYL)FURAN2YL)PROP2ENENITRILE
COC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC=C(O3)C4=CC=C(C=C4)(N+)(=O)(O))C#N
InChI=1SC21H14N4O4c12816681819(1116)2421(2318)14(1222)10177920(2917)132415(5313)25(26)27h211H1H3(H2324)b1410+
MFCD06625752
N#CC(=Cc1ccc(o1)c1ccc(cc1)(N+)(=O)(O))c1nc2c((nH)1)ccc(c2)OC
ZINC000004739819
ZINC04739819
ZINC4739819

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Available files

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