Vitas-M small molecule compound

4-butoxy-3-iodo-5-methoxybenzonitrile

Catalog ID
STK398121
SMILES CCCCOc1c(I)cc(cc1OC)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 C12H14INO2 MW 331.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14INO2/c1-3-4-5-16-12-10(13)6-9(8-14)7-11(12)15-2/h6-7H,3-5H2,1-2H3
InChIKey
ZYQPCISJLYWPEV-UHFFFAOYSA-N
Synonyms
445004-50-2
445004502
4BUTOXY3IODO5METHOXYBENZENECARBONITRILE
4butoxy3iodo5methoxybenzonitrile
CCCCOC1=C(C=C(C=C1I)C#N)OC
InChI=1SC12H14INO2c1345161210(13)69(814)711(12)152h67H35H212H3
MFCD02257157
ZINC000002101986
ZINC02101986
ZINC2101986

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.