Vitas-M small molecule compound
3-[1-(4-bromophenoxy)ethyl]-5-[(2-chloro-4-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STK454623
SMILES C=CCn1c(SCc2ccc(cc2Cl)F)nnc1C(Oc1ccc(cc1)Br)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 C20H18BrClFN3OS MW 482.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrClFN3OS/c1-3-10-26-19(13(2)27-17-8-5-15(21)6-9-17)24-25-20(26)28-12-14-4-7-16(23)11-18(14)22/h3-9,11,13H,1,10,12H2,2H3InChIKey
LCBMZHYRLRPAIN-UHFFFAOYSA-NSynonyms
3(1(4bromophenoxy)ethyl)5((2chloro4fluorobenzyl)sulfanyl)4(prop2en1yl)4H124triazole
3(1(4bromophenoxy)ethyl)5((2chloro4fluorophenyl)methylsulfanyl)4prop2enyl124triazole
4BROMO1((5((2CHLORO4FLUOROPHENYL)METHYLTHIO)4PROP2ENYL(124TRIAZOL3YL))ETHOXY)BENZENE
CC(C1=NN=C(N1CC=C)SCC2=C(C=C(C=C2)F)Cl)OC3=CC=C(C=C3)Br
InChI=1SC20H18BrClFN3OSc13102619(13(2)27178515(21)6917)242520(26)2812144716(23)1118(14)22h391113H11012H22H3
MFCD04227554
ZINC000020551485
ZINC000020551487
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