Vitas-M small molecule compound

2-{4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}-N-(3-nitrophenyl)acetamide

Catalog ID
STK287271
SMILES CCOc1cc(ccc1OCC(=O)Nc1cccc(c1)[N+](=O)[O-])/C=C(/c1nc2c([nH]1)cccc2)\C#N

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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 C26H21N5O5 MW 483.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N5O5/c1-2-35-24-13-17(12-18(15-27)26-29-21-8-3-4-9-22(21)30-26)10-11-23(24)36-16-25(32)28-19-6-5-7-20(14-19)31(33)34/h3-14H,2,16H2,1H3,(H,28,32)(H,29,30)/b18-12+
InChIKey
WOVLVKLTJOXVJU-LDADJPATSA-N
Synonyms

2(4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)2ethoxyphenoxy)N(3nitrophenyl)acetamide
CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC(=O)NC4=CC(=CC=C4)(N+)(=O)(O)
CCOc1cc(ccc1OCC(=O)Nc1cccc(c1)(N+)(=O)(O))C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC26H21N5O5c1235241317(1218(1527)262921834922(21)3026)101123(24)361625(32)281965720(1419)31(33)34h314H216H21H3(H2832)(H2930)b1812+
MFCD06760642
ZINC000009187393
ZINC09187393
ZINC9187393

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Available files

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