Vitas-M small molecule compound
3-(4-tert-butylphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STL054314
SMILES C=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 C22H24N4O2S MW 408.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O2S/c1-5-14-25-20(17-8-10-18(11-9-17)22(2,3)4)23-24-21(25)29-15-16-6-12-19(13-7-16)26(27)28/h5-13H,1,14-15H2,2-4H3InChIKey
VDKDOUFITXSQCL-UHFFFAOYSA-NSynonyms
716330-79-93(4tertbutylphenyl)5((4nitrobenzyl)sulfanyl)4(prop2en1yl)4H124triazole
3(4TERTBUTYLPHENYL)5((4NITROBENZYL)SULFANYL)4PROP2EN1YL4H124TRIAZOLE
3(4TERTBUTYLPHENYL)5((4NITROPHENYL)METHYLSULFANYL)4PROP2ENYL124TRIAZOLE
4allyl3(4(tertbutyl)phenyl)5((4nitrobenzyl)thio)4H124triazole
716330799
C=CCn1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1c1ccc(cc1)C(C)(C)C
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC22H24N4O2Sc15142520(1781018(11917)22(23)4)232421(25)29151661219(13716)26(27)28h513H11415H224H3
MFCD05684711
ZINC000005478415
ZINC05478415
ZINC5478415
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