Vitas-M small molecule compound

N-[1-(4-tert-butylphenyl)ethyl]-4-iodo-1-methyl-1H-pyrazole-5-carboxamide

Catalog ID
STK302516
SMILES CC(c1ccc(cc1)C(C)(C)C)NC(=O)c1c(I)cnn1C

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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 C17H22IN3O MW 411.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22IN3O/c1-11(12-6-8-13(9-7-12)17(2,3)4)20-16(22)15-14(18)10-19-21(15)5/h6-11H,1-5H3,(H,20,22)
InChIKey
GUAIMHGMVSOUGZ-UHFFFAOYSA-N
Synonyms
512826-12-9
512826129
CC(C1=CC=C(C=C1)C(C)(C)C)NC(=O)C2=C(C=NN2C)I
InChI=1SC17H22IN3Oc111(126813(9712)17(23)4)2016(22)1514(18)101921(15)5h611H15H3(H2022)
MFCD03468765
N(1(4tertbutylphenyl)ethyl)4iodo1methyl1Hpyrazole5carboxamide
N(1(4TERTBUTYLPHENYL)ETHYL)4IODO2METHYLPYRAZOLE3CARBOXAMIDE
ZINC000000653061
ZINC000000653063
ZINC00653061

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Available files

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