Vitas-M small molecule compound

5-chloro-N-[3-ethoxy-5-iodo-4-(prop-2-yn-1-yloxy)benzyl]-2-methylaniline

Catalog ID
STK128997
SMILES C#CCOc1c(I)cc(cc1OCC)CNc1cc(Cl)ccc1C

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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 C19H19ClINO2 MW 455.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClINO2/c1-4-8-24-19-16(21)9-14(10-18(19)23-5-2)12-22-17-11-15(20)7-6-13(17)3/h1,6-7,9-11,22H,5,8,12H2,2-3H3
InChIKey
RRUNLOKRMRBPKY-UHFFFAOYSA-N
Synonyms

5CHLORON((3ETHOXY5IODO4PROP2YNOXYPHENYL)METHYL)2METHYLANILINE
5CHLORON(3ETHOXY5IODO4(PROP2YN1YLOXY)BENZYL)2METHYLANILINE
CCOC1=C(C(=CC(=C1)CNC2=C(C=CC(=C2)Cl)C)I)OCC#C
InChI=1SC19H19ClINO2c148241916(21)914(1018(19)2352)1222171115(20)7613(17)3h16791122H5812H223H3
MFCD06662608
ZINC000009849690
ZINC09849690
ZINC9849690

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Available files

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