Vitas-M small molecule compound
1-[4-cyclohexyl-1-(4-methoxyphenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone
Catalog ID
STK723676
SMILES COc1ccc(cc1)N1N=C(N(C1c1cccs1)C1CCCCC1)C(=O)C
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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 C21H25N3O2S MW 383.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O2S/c1-15(25)20-22-24(17-10-12-18(26-2)13-11-17)21(19-9-6-14-27-19)23(20)16-7-4-3-5-8-16/h6,9-14,16,21H,3-5,7-8H2,1-2H3InChIKey
HHCKYZSJVJNFPI-UHFFFAOYSA-NSynonyms
1((5R)4CYCLOHEXYL1(4METHOXYPHENYL)5(THIOPHEN2YL)45DIHYDRO1H124TRIAZOL3YL)ETHANONE
1(4cyclohexyl1(4methoxyphenyl)5(thiophen2yl)45dihydro1H124triazol3yl)ethanone
1(4CYCLOHEXYL2(4METHOXYPHENYL)3THIOPHEN2YL3H124TRIAZOL5YL)ETHANONE
CC(=O)C1=NN(C(N1C2CCCCC2)C3=CC=CS3)C4=CC=C(C=C4)OC
InChI=1SC21H25N3O2Sc115(25)202224(17101218(262)131117)21(1996142719)23(20)167435816h69141621H3578H212H3
MFCD02182439
ZINC000002294508
ZINC000002294509
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