Vitas-M small molecule compound

(3-iodo-4-methoxyphenyl)(4-methylpiperazin-1-yl)methanone

Catalog ID
STK947948
SMILES COc1ccc(cc1I)C(=O)N1CCN(CC1)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 C13H17IN2O2 MW 360.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17IN2O2/c1-15-5-7-16(8-6-15)13(17)10-3-4-12(18-2)11(14)9-10/h3-4,9H,5-8H2,1-2H3
InChIKey
UXFYYXSSPZKJHU-UHFFFAOYSA-N
Synonyms

(3iodo4methoxyphenyl)(4methylpiperazin1yl)methanone
2IODO4((4METHYL1PIPERAZINYL)CARBONYL)PHENYLMETHYLETHER
3IODO4METHOXYPHENYL4METHYLPIPERAZINYLKETONE
CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)I
InChI=1SC13H17IN2O2c1155716(8615)13(17)103412(182)11(14)910h349H58H212H3
MFCD05621225
ZINC000001003789
ZINC1003789

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Available files

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