Vitas-M small molecule compound
2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone
Catalog ID
STK226833
SMILES O=C(C12CC3CC(C2)CC(C1)C3)CSc1nnc(n1c1ccccc1)Cc1ccccc1
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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 C27H29N3OS MW 443.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3OS/c31-24(27-15-20-11-21(16-27)13-22(12-20)17-27)18-32-26-29-28-25(14-19-7-3-1-4-8-19)30(26)23-9-5-2-6-10-23/h1-10,20-22H,11-18H2InChIKey
ORFVLECGFUMBRR-UHFFFAOYSA-NSynonyms
1(1ADAMANTYL)2((5BENZYL4PHENYL124TRIAZOL3YL)SULFANYL)ETHANONE
2((5benzyl4phenyl4H124triazol3yl)sulfanyl)1(tricyclo(3311~37~)dec1yl)ethanone
C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NN=C(N4C5=CC=CC=C5)CC6=CC=CC=C6
InChI=1SC27H29N3OSc3124(2715201121(1627)1322(1220)1727)183226292825(14197314819)30(26)2395261023h1102022H1118H2
MFCD03855370
ZINC000008892114
ZINC08892114
ZINC8892114
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