Vitas-M small molecule compound

N,N'-bis(4-ethylbenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine

Catalog ID
STK169919
SMILES CCc1ccc(cc1)CNc1nc(n(n1)S(=O)(=O)C)NCc1ccc(cc1)CC

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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 C21H27N5O2S MW 413.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O2S/c1-4-16-6-10-18(11-7-16)14-22-20-24-21(26(25-20)29(3,27)28)23-15-19-12-8-17(5-2)9-13-19/h6-13H,4-5,14-15H2,1-3H3,(H2,22,23,24,25)
InChIKey
BIRRTSFLRZHYIT-UHFFFAOYSA-N
Synonyms

3N5NBIS((4ETHYLPHENYL)METHYL)1METHYLSULFONYL124TRIAZOLE35DIAMINE
CCC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)CC)S(=O)(=O)C
InChI=1SC21H27N5O2Sc141661018(11716)1422202421(26(2520)29(327)28)23151912817(52)91319h613H451415H213H3(H222232425)
MFCD06663434
NNBIS(4ETHYLBENZYL)1(METHYLSULFONYL)1H124TRIAZOLE35DIAMINE
ZINC000004703245
ZINC04703245
ZINC4703245

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Available files

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