Vitas-M small molecule compound
3-(4-tert-butylphenyl)-4-methyl-5-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-4H-1,2,4-triazole
Catalog ID
STK056249
SMILES Cn1c(nnc1c1ccc(cc1)C(C)(C)C)Sc1ccc(cc1[N+](=O)[O-])C(F)(F)F
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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 C20H19F3N4O2S MW 436.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19F3N4O2S/c1-19(2,3)13-7-5-12(6-8-13)17-24-25-18(26(17)4)30-16-10-9-14(20(21,22)23)11-15(16)27(28)29/h5-11H,1-4H3InChIKey
ADNGGXZQWACITM-UHFFFAOYSA-NSynonyms
261633-06-1261633061
3(4(TERTBUTYL)PHENYL)4METHYL5((2NITRO4(TRIFLUOROMETHYL)PHENYL)THIO)4H124TRIAZOLE
3(4TERTBUTYLPHENYL)4METHYL5((2NITRO4(TRIFLUOROMETHYL)PHENYL)SULFANYL)4H124TRIAZOLE
3(4TERTBUTYLPHENYL)4METHYL5(2NITRO4(TRIFLUOROMETHYL)PHENYL)SULFANYL124TRIAZOLE
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SC3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O)
Cn1c(nnc1c1ccc(cc1)C(C)(C)C)Sc1ccc(cc1(N+)(=O)(O))C(F)(F)F
InChI=1SC20H19F3N4O2Sc119(23)137512(6813)17242518(26(17)4)301610914(20(2122)23)1115(16)27(28)29h511H14H3
MFCD00177355
STK056249
ZINC000002339151
ZINC02339151
ZINC2339151
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