Vitas-M small molecule compound
1-(4-bromophenyl)-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Catalog ID
STK218386
SMILES CCOc1cc(C)ccc1OCc1nnc(n1C)SCC(=O)c1ccc(cc1)Br
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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 C21H22BrN3O3S MW 476.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN3O3S/c1-4-27-19-11-14(2)5-10-18(19)28-12-20-23-24-21(25(20)3)29-13-17(26)15-6-8-16(22)9-7-15/h5-11H,4,12-13H2,1-3H3InChIKey
PLQJFGLCABEKCN-UHFFFAOYSA-NSynonyms
1(4BROMOPHENYL)2((5((2ETHOXY4METHYLPHENOXY)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)ETHANONE
1(4BROMOPHENYL)2((5((2ETHOXY4METHYLPHENOXY)METHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ETHANONE
CCOC1=C(C=CC(=C1)C)OCC2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)Br
InChI=1SC21H22BrN3O3Sc1427191114(2)51018(19)281220232421(25(20)3)291317(26)156816(22)9715h511H41213H213H3
MFCD04398004
ZINC000002862010
ZINC02862010
ZINC2862010
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