Vitas-M small molecule compound

N-(1-benzyl-1H-1,2,4-triazol-3-yl)-3-(naphthalen-2-ylsulfonyl)propanamide

Catalog ID
STK311455
SMILES O=C(Nc1ncn(n1)Cc1ccccc1)CCS(=O)(=O)c1ccc2c(c1)cccc2

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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 C22H20N4O3S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3S/c27-21(24-22-23-16-26(25-22)15-17-6-2-1-3-7-17)12-13-30(28,29)20-11-10-18-8-4-5-9-19(18)14-20/h1-11,14,16H,12-13,15H2,(H,24,25,27)
InChIKey
VLFXJILUQRRVBG-UHFFFAOYSA-N
Synonyms
832145-78-5
832145785
C1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)CCS(=O)(=O)C3=CC4=CC=CC=C4C=C3
InChI=1SC22H20N4O3Sc2721(2422231626(2522)15176213717)121330(2829)20111018845919(18)1420h1111416H121315H2(H242527)
MFCD04137931
N(1benzyl124triazol3yl)3naphthalen2ylsulfonylpropanamide
N(1benzyl1H124triazol3yl)3(naphthalen2ylsulfonyl)propanamide
ZINC000002809424
ZINC02809424
ZINC2809424

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Available files

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