Vitas-M small molecule compound
1-(2,4-dichlorophenyl)-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
STK807071
SMILES Clc1ccc(c(c1)Cl)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 C26H25Cl2N3OS MW 498.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25Cl2N3OS/c27-19-6-7-21(22(28)11-19)23(32)15-33-25-30-29-24(31(25)20-4-2-1-3-5-20)26-12-16-8-17(13-26)10-18(9-16)14-26/h1-7,11,16-18H,8-10,12-15H2InChIKey
NCWOYGQGKCLZIF-UHFFFAOYSA-NSynonyms
1(24dichlorophenyl)2((4phenyl5(tricyclo(3311~37~)dec1yl)4H124triazol3yl)sulfanyl)ethanone
2((5(1ADAMANTYL)4PHENYL124TRIAZOL3YL)SULFANYL)1(24DICHLOROPHENYL)ETHANONE
2(5ADAMANTANYL4PHENYL(124TRIAZOL3YLTHIO))1(24DICHLOROPHENYL)ETHAN1ONE
C1C2CC3CC1CC(C2)(C3)C4=NN=C(N4C5=CC=CC=C5)SCC(=O)C6=C(C=C(C=C6)Cl)Cl
InChI=1SC26H25Cl2N3OSc27196721(22(28)1119)23(32)153325302924(31(25)204213520)261216817(1326)1018(916)1426h17111618H8101215H2
MFCD03621161
ZINC000015441667
ZINC15441667
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