Vitas-M small molecule compound
2-{4-[(Z)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxyphenoxy}-N-(3-nitrophenyl)acetamide
Catalog ID
STK287164
SMILES COc1cc(ccc1OCC(=O)Nc1cccc(c1)[N+](=O)[O-])/C=C(\c1[nH]c2c(n1)cc(c(c2)C)C)/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 C27H23N5O5 MW 497.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N5O5/c1-16-9-22-23(10-17(16)2)31-27(30-22)19(14-28)11-18-7-8-24(25(12-18)36-3)37-15-26(33)29-20-5-4-6-21(13-20)32(34)35/h4-13H,15H2,1-3H3,(H,29,33)(H,30,31)/b19-11-InChIKey
RFLVVJOVYZCMPX-ODLFYWEKSA-NSynonyms
2(4((Z)2cyano2(56dimethyl1Hbenzimidazol2yl)ethenyl)2methoxyphenoxy)N(3nitrophenyl)acetamide
CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC(=C(C=C3)OCC(=O)NC4=CC(=CC=C4)(N+)(=O)(O))OC)C#N
COc1cc(ccc1OCC(=O)Nc1cccc(c1)(N+)(=O)(O))C=C(c1(nH)c2c(n1)cc(c(c2)C)C)C#N
InChI=1SC27H23N5O5c11692223(1017(16)2)3127(3022)19(1428)11187824(25(1218)363)371526(33)292054621(1320)32(34)35h413H15H213H3(H2933)(H3031)b1911
MFCD06629514
ZINC000013943467
ZINC13943467
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