Vitas-M small molecule compound
{4-[(Z)-2-cyano-2-(5-methyl-1H-benzimidazol-2-yl)ethenyl]-2,6-diiodophenoxy}acetic acid
Catalog ID
STK195893
SMILES N#C/C(=C/c1cc(I)c(c(c1)I)OCC(=O)O)/c1nc2c([nH]1)ccc(c2)C
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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 C19H13I2N3O3 MW 585.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13I2N3O3/c1-10-2-3-15-16(4-10)24-19(23-15)12(8-22)5-11-6-13(20)18(14(21)7-11)27-9-17(25)26/h2-7H,9H2,1H3,(H,23,24)(H,25,26)/b12-5-InChIKey
DTFVFWUCWHDNLC-XGICHPGQSA-NSynonyms
(4((Z)2CYANO2(5METHYL1HBENZIMIDAZOL2YL)ETHENYL)26DIIODOPHENOXY)ACETICACID
2(4((Z)2cyano2(6methyl1Hbenzimidazol2yl)ethenyl)26diiodophenoxy)aceticacid
CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C(=C3)I)OCC(=O)O)I)C#N
InChI=1SC19H13I2N3O3c110231516(410)2419(2315)12(822)511613(20)18(14(21)711)27917(25)26h27H9H21H3(H2324)(H2526)b125
MFCD06253164
N#CC(=Cc1cc(I)c(c(c1)I)OCC(=O)O)c1nc2c((nH)1)ccc(c2)C
ZINC000097960812
ZINC97960812
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