Vitas-M small molecule compound
2-{[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-bromophenyl)ethanone
Catalog ID
STK130735
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)Br)nnc1Cc1ccccc1
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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 C20H18BrN3OS MW 428.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN3OS/c1-2-12-24-19(13-15-6-4-3-5-7-15)22-23-20(24)26-14-18(25)16-8-10-17(21)11-9-16/h2-11H,1,12-14H2InChIKey
WPDMLBYXBTTWPT-UHFFFAOYSA-NSynonyms
2((5BENZYL4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1(4BROMOPHENYL)ETHANONE
2((5BENZYL4PROP2ENYL124TRIAZOL3YL)SULFANYL)1(4BROMOPHENYL)ETHANONE
C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3
InChI=1SC20H18BrN3OSc12122419(13156435715)222320(24)261418(25)1681017(21)11916h211H11214H2
MFCD05992902
ZINC000002861026
ZINC02861026
ZINC2861026
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