Vitas-M small molecule compound

3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole

Catalog ID
STK570696
SMILES Cc1ccc(cc1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1ccc(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 C26H26N4O2S MW 458.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O2S/c1-18-5-13-22(14-6-18)29-24(20-9-11-21(12-10-20)26(2,3)4)27-28-25(29)33-17-19-7-15-23(16-8-19)30(31)32/h5-16H,17H2,1-4H3
InChIKey
KATHIVWZPYYPRW-UHFFFAOYSA-N
Synonyms
714236-14-3
3(4(tertbutyl)phenyl)5((4nitrobenzyl)thio)4(ptolyl)4H124triazole
3(4tertbutylphenyl)4(4methylphenyl)5((4nitrobenzyl)sulfanyl)4H124triazole
3(4TERTBUTYLPHENYL)4(4METHYLPHENYL)5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOLE
714236143
CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)(N+)(=O)(O))C4=CC=C(C=C4)C(C)(C)C
Cc1ccc(cc1)n1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC26H26N4O2Sc11851322(14618)2924(2091121(121020)26(23)4)272825(29)33171971523(16819)30(31)32h516H17H214H3
MFCD05681731
ZINC000001845897
ZINC01845897
ZINC1845897

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Available files

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