Vitas-M small molecule compound

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

Catalog ID
STK178950
SMILES Cc1ccc(cc1)CNc1nc(n(n1)S(=O)(=O)C)NCc1ccc(cc1)C

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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 C19H23N5O2S MW 385.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N5O2S/c1-14-4-8-16(9-5-14)12-20-18-22-19(24(23-18)27(3,25)26)21-13-17-10-6-15(2)7-11-17/h4-11H,12-13H2,1-3H3,(H2,20,21,22,23)
InChIKey
NSUSHYDYRWWVGB-UHFFFAOYSA-N
Synonyms

3N5NBIS((4METHYLPHENYL)METHYL)1METHYLSULFONYL124TRIAZOLE35DIAMINE
CC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)C)S(=O)(=O)C
InChI=1SC19H23N5O2Sc1144816(9514)1220182219(24(2318)27(325)26)21131710615(2)71117h411H1213H213H3(H220212223)
MFCD06664014
NNBIS(4METHYLBENZYL)1(METHYLSULFONYL)1H124TRIAZOLE35DIAMINE
ZINC000004704923
ZINC04704923
ZINC4704923

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Available files

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