Vitas-M small molecule compound
1-(4-bromophenyl)-2-({5-[(2,6-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Catalog ID
STK131543
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)Br)nnc1COc1c(C)cccc1C
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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 C22H22BrN3O2S MW 472.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrN3O2S/c1-4-12-26-20(13-28-21-15(2)6-5-7-16(21)3)24-25-22(26)29-14-19(27)17-8-10-18(23)11-9-17/h4-11H,1,12-14H2,2-3H3InChIKey
STBIUOCBZCIOFV-UHFFFAOYSA-NSynonyms
1(4BROMOPHENYL)2((5((26DIMETHYLPHENOXY)METHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ETHANONE
1(4BROMOPHENYL)2((5((26DIMETHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ETHANONE
CC1=C(C(=CC=C1)C)OCC2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)Br
InChI=1SC22H22BrN3O2Sc14122620(13282115(2)65716(21)3)242522(26)291419(27)1781018(23)11917h411H11214H223H3
MFCD04377165
ZINC000002859379
ZINC02859379
ZINC2859379
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