Vitas-M small molecule compound
3-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazole
Catalog ID
STK121951
SMILES Cn1c(nnc1c1ccc(cc1)[N+](=O)[O-])SCc1c(C)cc(cc1C)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 C22H26N4O2S MW 410.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O2S/c1-14-11-17(22(3,4)5)12-15(2)19(14)13-29-21-24-23-20(25(21)6)16-7-9-18(10-8-16)26(27)28/h7-12H,13H2,1-6H3InChIKey
DFULWPKNFSQHRW-UHFFFAOYSA-NSynonyms
3((4TERTBUTYL26DIMETHYLBENZYL)SULFANYL)4METHYL5(4NITROPHENYL)4H124TRIAZOLE
3((4TERTBUTYL26DIMETHYLPHENYL)METHYLSULFANYL)4METHYL5(4NITROPHENYL)124TRIAZOLE
CC1=CC(=CC(=C1CSC2=NN=C(N2C)C3=CC=C(C=C3)(N+)(=O)(O))C)C(C)(C)C
Cn1c(nnc1c1ccc(cc1)(N+)(=O)(O))SCc1c(C)cc(cc1C)C(C)(C)C
InChI=1SC22H26N4O2Sc1141117(22(34)5)1215(2)19(14)132921242320(25(21)6)167918(10816)26(27)28h712H13H216H3
MFCD03996076
ZINC000002836786
ZINC02836786
ZINC2836786
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