Vitas-M small molecule compound
2-{4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy}-N-(4-nitrophenyl)acetamide
Catalog ID
STK287230
SMILES COc1cc(ccc1OCC(=O)Nc1ccc(cc1)[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 C25H19N5O5 MW 469.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N5O5/c1-34-23-13-16(12-17(14-26)25-28-20-4-2-3-5-21(20)29-25)6-11-22(23)35-15-24(31)27-18-7-9-19(10-8-18)30(32)33/h2-13H,15H2,1H3,(H,27,31)(H,28,29)/b17-12+InChIKey
VKQUKVLXPRCYFG-SFQUDFHCSA-NSynonyms
2(4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)2methoxyphenoxy)N(4nitrophenyl)acetamide
COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC(=O)NC4=CC=C(C=C4)(N+)(=O)(O)
COc1cc(ccc1OCC(=O)Nc1ccc(cc1)(N+)(=O)(O))C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC25H19N5O5c134231316(1217(1426)252820423521(20)2925)61122(23)351524(31)27187919(10818)30(32)33h213H15H21H3(H2731)(H2829)b1712+
MFCD06427571
ZINC000009187314
ZINC09187314
ZINC9187314
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