Vitas-M small molecule compound
3-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-[4-(cyclopentyloxy)phenyl]-4-methyl-4H-1,2,4-triazole
Catalog ID
STK472715
SMILES Fc1cccc(c1CSc1nnc(n1C)c1ccc(cc1)OC1CCCC1)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 C21H21ClFN3OS MW 417.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClFN3OS/c1-26-20(14-9-11-16(12-10-14)27-15-5-2-3-6-15)24-25-21(26)28-13-17-18(22)7-4-8-19(17)23/h4,7-12,15H,2-3,5-6,13H2,1H3InChIKey
JXKJEYJJKFNOLL-UHFFFAOYSA-NSynonyms
1(5((2CHLORO6FLUOROPHENYL)METHYLTHIO)4METHYL(124TRIAZOL3YL))4CYCLOPENTYLOXYBENZENE
3((2chloro6fluorobenzyl)sulfanyl)5(4(cyclopentyloxy)phenyl)4methyl4H124triazole
3((2chloro6fluorophenyl)methylsulfanyl)5(4cyclopentyloxyphenyl)4methyl124triazole
CN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)C3=CC=C(C=C3)OC4CCCC4
InChI=1SC21H21ClFN3OSc12620(1491116(121014)2715523615)242521(26)28131718(22)74819(17)23h471215H235613H21H3
MFCD07076549
ZINC000017091265
ZINC17091265
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