Vitas-M small molecule compound

N-(1,3-benzodioxol-5-ylmethyl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide

Catalog ID
STL184475
SMILES Clc1ccc(cc1)c1[nH]ncc1C(=O)NCc1ccc2c(c1)OCO2

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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 C18H14ClN3O3 MW 355.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14ClN3O3/c19-13-4-2-12(3-5-13)17-14(9-21-22-17)18(23)20-8-11-1-6-15-16(7-11)25-10-24-15/h1-7,9H,8,10H2,(H,20,23)(H,21,22)
InChIKey
CBAKGQBKQRXASP-UHFFFAOYSA-N
Synonyms

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(NN=C3)C4=CC=C(C=C4)Cl
Clc1ccc(cc1)c1(nH)ncc1C(=O)NCc1ccc2c(c1)OCO2
InChI=1SC18H14ClN3O3c19134212(3513)1714(9212217)18(23)20811161516(711)25102415h179H810H2(H2023)(H2122)
MFCD22386617
N(13benzodioxol5ylmethyl)5(4chlorophenyl)1Hpyrazole4carboxamide
ZINC000028935992
ZINC28935992

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Available files

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