Vitas-M small molecule compound
1-(4-chlorophenyl)-2-{[4-phenyl-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK807049
SMILES Clc1ccc(cc1)C(=O)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 C26H26ClN3OS MW 464.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClN3OS/c27-21-8-6-20(7-9-21)23(31)16-32-25-29-28-24(30(25)22-4-2-1-3-5-22)26-13-17-10-18(14-26)12-19(11-17)15-26/h1-9,17-19H,10-16H2InChIKey
ACAOIDVEBKUKPI-UHFFFAOYSA-NSynonyms
1(4chlorophenyl)2((4phenyl5(tricyclo(3311~37~)dec1yl)4H124triazol3yl)sulfanyl)ethanone
2((5(1ADAMANTYL)4PHENYL124TRIAZOL3YL)SULFANYL)1(4CHLOROPHENYL)ETHANONE
2(5ADAMANTANYL4PHENYL(124TRIAZOL3YLTHIO))1(4CHLOROPHENYL)ETHAN1ONE
C1C2CC3CC1CC(C2)(C3)C4=NN=C(N4C5=CC=CC=C5)SCC(=O)C6=CC=C(C=C6)Cl
InChI=1SC26H26ClN3OSc27218620(7921)23(31)163225292824(30(25)224213522)2613171018(1426)1219(1117)1526h191719H1016H2
MFCD03621193
ZINC000015441644
ZINC15441644
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