Vitas-M small molecule compound
3-(4-tert-butylphenyl)-4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Catalog ID
STL026163
SMILES CCn1c(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 C21H24N4O2S MW 396.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O2S/c1-5-24-19(16-8-10-17(11-9-16)21(2,3)4)22-23-20(24)28-14-15-6-12-18(13-7-15)25(26)27/h6-13H,5,14H2,1-4H3InChIKey
RLHLQGSSSCZNFO-UHFFFAOYSA-NSynonyms
714946-32-43(4(tertbutyl)phenyl)4ethyl5((4nitrobenzyl)thio)4H124triazole
3(4TERTBUTYLPHENYL)4ETHYL5(((4NITROPHENYL)METHYL)SULFANYL)4H124TRIAZOLE
3(4tertbutylphenyl)4ethyl5((4nitrobenzyl)sulfanyl)4H124triazole
3(4TERTBUTYLPHENYL)4ETHYL5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOLE
5(4(TERTBUTYL)PHENYL)4ETHYL3((4NITROPHENYL)METHYLTHIO)124TRIAZOLE
714946324
CCN1C(=NN=C1SCC2=CC=C(C=C2)(N+)(=O)(O))C3=CC=C(C=C3)C(C)(C)C
CCn1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC21H24N4O2Sc152419(1681017(11916)21(23)4)222320(24)28141561218(13715)25(26)27h613H514H214H3
MFCD04606806
ZINC000002442227
ZINC02442227
ZINC2442227
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