Vitas-M small molecule compound
N-benzyl-2-{[4-phenyl-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK130428
SMILES O=C(NCc1ccccc1)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 C27H30N4OS MW 458.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4OS/c32-24(28-17-19-7-3-1-4-8-19)18-33-26-30-29-25(31(26)23-9-5-2-6-10-23)27-14-20-11-21(15-27)13-22(12-20)16-27/h1-10,20-22H,11-18H2,(H,28,32)InChIKey
PZTODBIRXDLBRK-UHFFFAOYSA-NSynonyms
2((5(1ADAMANTYL)4PHENYL124TRIAZOL3YL)SULFANYL)NBENZYLACETAMIDE
2((5(1ADAMANTYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)NBENZYLACETAMIDE
2(5ADAMANTANYL4PHENYL(124TRIAZOL3YLTHIO))NBENZYLACETAMIDE
C1C2CC3CC1CC(C2)(C3)C4=NN=C(N4C5=CC=CC=C5)SCC(=O)NCC6=CC=CC=C6
InChI=1SC27H30N4OSc3224(2817197314819)183326302925(31(26)2395261023)2714201121(1527)1322(1220)1627h1102022H1118H2(H2832)
MFCD03164646
Nbenzyl2((4phenyl5(tricyclo(3311~37~)dec1yl)4H124triazol3yl)sulfanyl)acetamide
ZINC000008444683
ZINC08444683
ZINC8444683
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