Vitas-M small molecule compound

5-(4-bromophenyl)-N-(2-methoxybenzyl)-1H-pyrazole-3-carboxamide

Catalog ID
STK901388
SMILES COc1ccccc1CNC(=O)c1n[nH]c(c1)c1ccc(cc1)Br

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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 C18H16BrN3O2 MW 386.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrN3O2/c1-24-17-5-3-2-4-13(17)11-20-18(23)16-10-15(21-22-16)12-6-8-14(19)9-7-12/h2-10H,11H2,1H3,(H,20,23)(H,21,22)
InChIKey
XQIUPMCVKCZBIC-UHFFFAOYSA-N
Synonyms

3(4bromophenyl)N((2methoxyphenyl)methyl)1Hpyrazole5carboxamide
5(4bromophenyl)N(2methoxybenzyl)1Hpyrazole3carboxamide
COC1=CC=CC=C1CNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br
COc1ccccc1CNC(=O)c1n(nH)c(c1)c1ccc(cc1)Br
InChI=1SC18H16BrN3O2c12417532413(17)112018(23)161015(212216)126814(19)9712h210H11H21H3(H2023)(H2122)
MFCD18174182
ZINC000015721658
ZINC15721658

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Available files

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