Vitas-M small molecule compound
3-[(3-bromo-4-methoxybenzyl)sulfanyl]-5-(2-ethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STK785862
SMILES C=CCn1c(SCc2ccc(c(c2)Br)OC)nnc1c1ccccc1OCC
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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 C21H22BrN3O2S MW 460.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN3O2S/c1-4-12-25-20(16-8-6-7-9-18(16)27-5-2)23-24-21(25)28-14-15-10-11-19(26-3)17(22)13-15/h4,6-11,13H,1,5,12,14H2,2-3H3InChIKey
INXJCCYPXKEKAF-UHFFFAOYSA-NSynonyms
3((3bromo4methoxybenzyl)sulfanyl)5(2ethoxyphenyl)4(prop2en1yl)4H124triazole
3((3BROMO4METHOXYPHENYL)METHYLSULFANYL)5(2ETHOXYPHENYL)4PROP2ENYL124TRIAZOLE
CCOC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=CC(=C(C=C3)OC)Br
InChI=1SC21H22BrN3O2Sc14122520(16867918(16)2752)232421(25)281415101119(263)17(22)1315h461113H151214H223H3
MFCD07800764
ZINC000012412527
ZINC12412527
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