Vitas-M small molecule compound
3-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazole
Catalog ID
STK124432
SMILES Cn1c(SCc2ccc(cc2)C(C)(C)C)nnc1c1ccc(cc1)[N+](=O)[O-]
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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 C20H22N4O2S MW 382.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O2S/c1-20(2,3)16-9-5-14(6-10-16)13-27-19-22-21-18(23(19)4)15-7-11-17(12-8-15)24(25)26/h5-12H,13H2,1-4H3InChIKey
CIAXJYXHIVKKIA-UHFFFAOYSA-NSynonyms
3((4TERTBUTYLBENZYL)SULFANYL)4METHYL5(4NITROPHENYL)4H124TRIAZOLE
3((4TERTBUTYLPHENYL)METHYLSULFANYL)4METHYL5(4NITROPHENYL)124TRIAZOLE
CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)C3=CC=C(C=C3)(N+)(=O)(O)
Cn1c(SCc2ccc(cc2)C(C)(C)C)nnc1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H22N4O2Sc120(23)169514(61016)132719222118(23(19)4)1571117(12815)24(25)26h512H13H214H3
MFCD04372274
ZINC000004699616
ZINC04699616
ZINC4699616
Check stock
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