Vitas-M small molecule compound

N-[1-(naphthalen-1-ylmethyl)-1H-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

Catalog ID
STK779240
SMILES O=C(c1ccc2c(c1)OCO2)Nc1ccn(n1)Cc1cccc2c1cccc2

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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 C22H17N3O3 MW 371.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O3/c26-22(16-8-9-19-20(12-16)28-14-27-19)23-21-10-11-25(24-21)13-17-6-3-5-15-4-1-2-7-18(15)17/h1-12H,13-14H2,(H,23,24,26)
InChIKey
YZSFUUBYRZACLQ-UHFFFAOYSA-N
Synonyms

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN(C=C3)CC4=CC=CC5=CC=CC=C54
InChI=1SC22H17N3O3c2622(16891920(1216)28142719)2321101125(2421)131763515412718(15)17h112H1314H2(H232426)
MFCD05858256
N(1(naphthalen1ylmethyl)1Hpyrazol3yl)13benzodioxole5carboxamide
N(1(NAPHTHALEN1YLMETHYL)PYRAZOL3YL)13BENZODIOXOLE5CARBOXAMIDE
ZINC000001429197
ZINC01429197
ZINC1429197

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Available files

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