Vitas-M small molecule compound

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

Catalog ID
STK178993
SMILES CCOc1ccc(cc1)CNc1nc(n(n1)S(=O)(=O)C)NCc1ccc(cc1)OCC

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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 C21H27N5O4S MW 445.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O4S/c1-4-29-18-10-6-16(7-11-18)14-22-20-24-21(26(25-20)31(3,27)28)23-15-17-8-12-19(13-9-17)30-5-2/h6-13H,4-5,14-15H2,1-3H3,(H2,22,23,24,25)
InChIKey
AKEQXHFNBBQHTE-UHFFFAOYSA-N
Synonyms

3N5Nbis((4ethoxyphenyl)methyl)1methylsulfonyl124triazole35diamine
CCOC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)OCC)S(=O)(=O)C
InChI=1SC21H27N5O4Sc14291810616(71118)1422202421(26(2520)31(327)28)23151781219(13917)3052h613H451415H213H3(H222232425)
MFCD06664055
NNBIS(4ETHOXYBENZYL)1(METHYLSULFONYL)1H124TRIAZOLE35DIAMINE
ZINC000009948651
ZINC09948651
ZINC9948651

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Available files

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