Vitas-M small molecule compound
3-(4-tert-butylphenyl)-4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Catalog ID
STL026147
SMILES Cn1c(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 C20H22N4O2S MW 382.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O2S/c1-20(2,3)16-9-7-15(8-10-16)18-21-22-19(23(18)4)27-13-14-5-11-17(12-6-14)24(25)26/h5-12H,13H2,1-4H3InChIKey
ROXPVMFRJQAZTI-UHFFFAOYSA-NSynonyms
714936-43-33(4(tertbutyl)phenyl)4methyl5((4nitrobenzyl)thio)4H124triazole
3(4TERTBUTYLPHENYL)4METHYL5(((4NITROPHENYL)METHYL)SULFANYL)4H124TRIAZOLE
3(4tertbutylphenyl)4methyl5((4nitrobenzyl)sulfanyl)4H124triazole
3(4TERTBUTYLPHENYL)4METHYL5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOLE
5(4(TERTBUTYL)PHENYL)4METHYL3((4NITROPHENYL)METHYLTHIO)124TRIAZOLE
714936433
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)(N+)(=O)(O)
Cn1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC20H22N4O2Sc120(23)169715(81016)18212219(23(18)4)27131451117(12614)24(25)26h512H13H214H3
MFCD04606802
ZINC000005296816
ZINC05296816
ZINC5296816
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