Vitas-M small molecule compound
2-({2-iodo-6-methoxy-4-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzonitrile
Catalog ID
STK067848
SMILES COc1cc(/C=N/n2cnnc2)cc(c1OCc1ccccc1C#N)I
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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 C18H14IN5O2 MW 459.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14IN5O2/c1-25-17-7-13(9-23-24-11-21-22-12-24)6-16(19)18(17)26-10-15-5-3-2-4-14(15)8-20/h2-7,9,11-12H,10H2,1H3/b23-9+InChIKey
HUVOMLJWPASEPZ-NUGSKGIGSA-NSynonyms
(E)2((4(((4H124triazol4yl)imino)methyl)2iodo6methoxyphenoxy)methyl)benzonitrile
2((2IODO6METHOXY4((4H124TRIAZOL4YLIMINO)METHYL)PHENOXY)METHYL)BENZONITRILE
2((2IODO6METHOXY4((E)(4H124TRIAZOL4YLIMINO)METHYL)PHENOXY)METHYL)BENZONITRILE
2((2IODO6METHOXY4((E)124TRIAZOL4YLIMINOMETHYL)PHENOXY)METHYL)BENZONITRILE
COC1=C(C(=CC(=C1)C=NN2C=NN=C2)I)OCC3=CC=CC=C3C#N
COc1cc(C=Nn2cnnc2)cc(c1OCc1ccccc1C#N)I
InChI=1SC18H14IN5O2c12517713(923241121221224)616(19)18(17)261015532414(15)820h2791112H10H21H3b239+
MFCD02628899
STK067848
ZINC000000640556
ZINC640555
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