Vitas-M small molecule compound

N,N'-dibenzyl-1-[(4-methylphenyl)sulfonyl]-1H-1,2,4-triazole-3,5-diamine

Catalog ID
STK187567
SMILES Cc1ccc(cc1)S(=O)(=O)n1nc(nc1NCc1ccccc1)NCc1ccccc1

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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 C23H23N5O2S MW 433.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O2S/c1-18-12-14-21(15-13-18)31(29,30)28-23(25-17-20-10-6-3-7-11-20)26-22(27-28)24-16-19-8-4-2-5-9-19/h2-15H,16-17H2,1H3,(H2,24,25,26,27)
InChIKey
KCUCVQWGQOZISM-UHFFFAOYSA-N
Synonyms

3N5Ndibenzyl1(4methylphenyl)sulfonyl124triazole35diamine
CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)NCC3=CC=CC=C3)NCC4=CC=CC=C4
InChI=1SC23H23N5O2Sc118121421(151318)31(2930)2823(251720106371120)2622(2728)2416198425919h215H1617H21H3(H224252627)
MFCD06664546
NNDIBENZYL1((4METHYLPHENYL)SULFONYL)1H124TRIAZOLE35DIAMINE
ZINC000009907501
ZINC09907501
ZINC9907501

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Available files

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