Vitas-M small molecule compound
3-[(3-chlorobenzyl)sulfanyl]-5-[4-(cyclopentyloxy)phenyl]-4-methyl-4H-1,2,4-triazole
Catalog ID
STK484389
SMILES Clc1cccc(c1)CSc1nnc(n1C)c1ccc(cc1)OC1CCCC1
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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 C21H22ClN3OS MW 399.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3OS/c1-25-20(16-9-11-19(12-10-16)26-18-7-2-3-8-18)23-24-21(25)27-14-15-5-4-6-17(22)13-15/h4-6,9-13,18H,2-3,7-8,14H2,1H3InChIKey
KLLMBBHYMZMRCV-UHFFFAOYSA-NSynonyms
1(5((3CHLOROPHENYL)METHYLTHIO)4METHYL(124TRIAZOL3YL))4CYCLOPENTYLOXYBENZENE
3((3chlorobenzyl)sulfanyl)5(4(cyclopentyloxy)phenyl)4methyl4H124triazole
3((3chlorophenyl)methylsulfanyl)5(4cyclopentyloxyphenyl)4methyl124triazole
CN1C(=NN=C1SCC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)OC4CCCC4
InChI=1SC21H22ClN3OSc12520(1691119(121016)2618723818)232421(25)27141554617(22)1315h4691318H237814H21H3
MFCD07043813
ZINC000013325888
ZINC13325888
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