Vitas-M small molecule compound

1-(methylsulfonyl)-N,N'-bis[4-(propan-2-yl)benzyl]-1H-1,2,4-triazole-3,5-diamine

Catalog ID
STK169931
SMILES CC(c1ccc(cc1)CNc1nc(n(n1)S(=O)(=O)C)NCc1ccc(cc1)C(C)C)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 C23H31N5O2S MW 441.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N5O2S/c1-16(2)20-10-6-18(7-11-20)14-24-22-26-23(28(27-22)31(5,29)30)25-15-19-8-12-21(13-9-19)17(3)4/h6-13,16-17H,14-15H2,1-5H3,(H2,24,25,26,27)
InChIKey
KDIHCDIZRNCKIK-UHFFFAOYSA-N
Synonyms

1(METHYLSULFONYL)NNBIS(4(PROPAN2YL)BENZYL)1H124TRIAZOLE35DIAMINE
1methylsulfonyl3N5Nbis((4propan2ylphenyl)methyl)124triazole35diamine
CC(C)C1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)C(C)C)S(=O)(=O)C
InChI=1SC23H31N5O2Sc116(2)2010618(71120)1424222623(28(2722)31(529)30)25151981221(13919)17(3)4h6131617H1415H215H3(H224252627)
MFCD06663444
ZINC000009847142
ZINC09847142
ZINC9847142

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Available files

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