Vitas-M small molecule compound

2-{[4-benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide

Catalog ID
STK365144
SMILES O=C(NC12CC3CC(C2)CC(C1)C3)CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)Cl

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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 C27H29ClN4OS MW 493.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN4OS/c28-23-8-6-22(7-9-23)25-30-31-26(32(25)16-18-4-2-1-3-5-18)34-17-24(33)29-27-13-19-10-20(14-27)12-21(11-19)15-27/h1-9,19-21H,10-17H2,(H,29,33)
InChIKey
HVIQFZPTLHIJJD-UHFFFAOYSA-N
Synonyms

2((4benzyl5(4chlorophenyl)4H124triazol3yl)sulfanyl)N(tricyclo(3311~37~)dec1yl)acetamide
C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NN=C(N4CC5=CC=CC=C5)C6=CC=C(C=C6)Cl
InChI=1SC27H29ClN4OSc28238622(7923)25303126(32(25)16184213518)341724(33)292713191020(1427)1221(1119)1527h191921H1017H2(H2933)
MFCD03722239
N(1ADAMANTYL)2((4BENZYL5(4CHLOROPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
NADAMANTANYL2(5(4CHLOROPHENYL)4BENZYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000009030085
ZINC09030085
ZINC9030085

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Available files

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