Vitas-M small molecule compound
3-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-[1-(4-methylphenoxy)ethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STK484316
SMILES C=CCn1c(SCc2c(F)cccc2Cl)nnc1C(Oc1ccc(cc1)C)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 C21H21ClFN3OS MW 417.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClFN3OS/c1-4-12-26-20(15(3)27-16-10-8-14(2)9-11-16)24-25-21(26)28-13-17-18(22)6-5-7-19(17)23/h4-11,15H,1,12-13H2,2-3H3InChIKey
APWIXHIUXZGCPC-UHFFFAOYSA-NSynonyms
1((5((6CHLORO2FLUOROPHENYL)METHYLTHIO)4PROP2ENYL(124TRIAZOL3YL))ETHOXY)4METHYLBENZENE
3((2chloro6fluorobenzyl)sulfanyl)5(1(4methylphenoxy)ethyl)4(prop2en1yl)4H124triazole
3((2chloro6fluorophenyl)methylsulfanyl)5(1(4methylphenoxy)ethyl)4prop2enyl124triazole
CC1=CC=C(C=C1)OC(C)C2=NN=C(N2CC=C)SCC3=C(C=CC=C3Cl)F
InChI=1SC21H21ClFN3OSc14122620(15(3)271610814(2)91116)242521(26)28131718(22)65719(17)23h41115H11213H223H3
MFCD06182419
ZINC000013325746
ZINC000013325749
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