Vitas-M small molecule compound
3-[(4-nitrobenzyl)sulfanyl]-4-phenyl-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazole
Catalog ID
STK807052
SMILES [O-][N+](=O)c1ccc(cc1)CSc1nnc(n1c1ccccc1)C12CC3CC(C2)CC(C1)C3
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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 C25H26N4O2S MW 446.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O2S/c30-29(31)22-8-6-17(7-9-22)16-32-24-27-26-23(28(24)21-4-2-1-3-5-21)25-13-18-10-19(14-25)12-20(11-18)15-25/h1-9,18-20H,10-16H2InChIKey
KQBRHMMLYATZIO-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1)CSc1nnc(n1c1ccccc1)C12CC3CC(C2)CC(C1)C3
3((4nitrobenzyl)sulfanyl)4phenyl5(tricyclo(3311~37~)dec1yl)4H124triazole
3(1ADAMANTYL)5((4NITROPHENYL)METHYLSULFANYL)4PHENYL124TRIAZOLE
5ADAMANTANYL3((4NITROPHENYL)METHYLTHIO)4PHENYL124TRIAZOLE
C1C2CC3CC1CC(C2)(C3)C4=NN=C(N4C5=CC=CC=C5)SCC6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC25H26N4O2Sc3029(31)228617(7922)163224272623(28(24)214213521)2513181019(1425)1220(1118)1525h191820H1016H2
MFCD03621194
ZINC000015441646
ZINC15441646
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