Vitas-M small molecule compound

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

Catalog ID
STK232361
SMILES O=C(NC12CC3CC(C2)CC(C1)C3)CSc1nnc(n1C)COc1ccccc1

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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 C22H28N4O2S MW 412.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O2S/c1-26-19(13-28-18-5-3-2-4-6-18)24-25-21(26)29-14-20(27)23-22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,15-17H,7-14H2,1H3,(H,23,27)
InChIKey
OKEHCANFUOVDAF-UHFFFAOYSA-N
Synonyms

2((4methyl5(phenoxymethyl)4H124triazol3yl)sulfanyl)N(tricyclo(3311~37~)dec1yl)acetamide
CN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)COC5=CC=CC=C5
InChI=1SC22H28N4O2Sc12619(1328185324618)242521(26)291420(27)23221015716(1122)917(815)1222h261517H714H21H3(H2327)
MFCD07399441
N(1ADAMANTYL)2((4METHYL5(PHENOXYMETHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000004944054
ZINC04944054
ZINC4944054

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Available files

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