Vitas-M small molecule compound

{4-[(Z)-2-cyano-2-(5-methyl-1H-benzimidazol-2-yl)ethenyl]-2-ethoxy-6-iodophenoxy}acetic acid

Catalog ID
STK195895
SMILES CCOc1cc(cc(c1OCC(=O)O)I)/C=C(\c1[nH]c2c(n1)cc(cc2)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 C21H18IN3O4 MW 503.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18IN3O4/c1-3-28-18-9-13(8-15(22)20(18)29-11-19(26)27)7-14(10-23)21-24-16-5-4-12(2)6-17(16)25-21/h4-9H,3,11H2,1-2H3,(H,24,25)(H,26,27)/b14-7-
InChIKey
ZYFKHDOKDDVKQL-AUWJEWJLSA-N
Synonyms

(4((Z)2CYANO2(5METHYL1HBENZIMIDAZOL2YL)ETHENYL)2ETHOXY6IODOPHENOXY)ACETICACID
2(4((Z)2CYANO2(6METHYL1HBENZIMIDAZOL2YL)ETHENYL)2ETHOXY6IODOPHENOXY)ACETICACID
CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)I)OCC(=O)O
CCOc1cc(cc(c1OCC(=O)O)I)C=C(c1(nH)c2c(n1)cc(cc2)C)C#N
InChI=1SC21H18IN3O4c132818913(815(22)20(18)291119(26)27)714(1023)2124165412(2)617(16)2521h49H311H212H3(H2425)(H2627)b147
MFCD06001673
ZINC000009263416
ZINC9263416

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Available files

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